Oxacyclic compounds

Organic heterocyclic compounds that contain one or more oxygen atoms either within the ring's structure or linked to the ring.

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Ethyl oxazole-5-carboxylate, 98%

CAS: 118994-89-1 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD04114930 InChI Key: KRMORCCAHXFIHF-UHFFFAOYSA-N Synonym: ethyl oxazole-5-carboxylate,5-oxazolecarboxylic acid, ethyl ester,5-oxazolecarboxylicacid, ethyl ester,oxazole-5-carboxylic acid ethyl ester,ethyloxazole-5-carboxylate,5-ethoxycarbonyloxazole,acmc-1c1iz,ksc510s9l,ethyl 5-oxazolecarboxylate,5-ethoxycarbonyl-1,3-oxazole PubChem CID: 10964603 IUPAC Name: ethyl 1,3-oxazole-5-carboxylate SMILES: CCOC(=O)C1=CN=CO1

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PubChem CID	10964603
CAS	118994-89-1
Molecular Weight (g/mol)	141.126
MDL Number	MFCD04114930
SMILES	CCOC(=O)C1=CN=CO1
Synonym	ethyl oxazole-5-carboxylate,5-oxazolecarboxylic acid, ethyl ester,5-oxazolecarboxylicacid, ethyl ester,oxazole-5-carboxylic acid ethyl ester,ethyloxazole-5-carboxylate,5-ethoxycarbonyloxazole,acmc-1c1iz,ksc510s9l,ethyl 5-oxazolecarboxylate,5-ethoxycarbonyl-1,3-oxazole
IUPAC Name	ethyl 1,3-oxazole-5-carboxylate
InChI Key	KRMORCCAHXFIHF-UHFFFAOYSA-N
Molecular Formula	C6H7NO3

Psoralen, 97%, Thermo Scientific Chemicals

CAS: 66-97-7 Molecular Formula: C11H6O3 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00010520 InChI Key: ZCCUUQDIBDJBTK-UHFFFAOYSA-N Synonym: psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin PubChem CID: 6199 ChEBI: CHEBI:27616 IUPAC Name: 7H-furo[3,2-g]chromen-7-one SMILES: O=C1OC2=CC3=C(C=CO3)C=C2C=C1

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Specifications

PubChem CID	6199
CAS	66-97-7
Molecular Weight (g/mol)	186.17
ChEBI	CHEBI:27616
MDL Number	MFCD00010520
SMILES	O=C1OC2=CC3=C(C=CO3)C=C2C=C1
Synonym	psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin
IUPAC Name	7H-furo[3,2-g]chromen-7-one
InChI Key	ZCCUUQDIBDJBTK-UHFFFAOYSA-N
Molecular Formula	C11H6O3

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2,3-Dimethylmaleic anhydride, 97%

CAS: 766-39-2 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD00005523 InChI Key: MFGALGYVFGDXIX-UHFFFAOYSA-N Synonym: 2,3-dimethylmaleic anhydride,dimethylmaleic anhydride,2,5-furandione, 3,4-dimethyl,pyrocinchonic anhydride,maleic anhydride, dimethyl,dimethylmaleic acid anhydride,2,3-dimethylmaleicanhydride,unii-6pp3n541qa,3,4-dimethyl-furan-2,5-dione,alpha,beta-dimethylmaleic anhydride PubChem CID: 13010 IUPAC Name: 3,4-dimethylfuran-2,5-dione SMILES: CC1=C(C(=O)OC1=O)C

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Specifications

PubChem CID	13010
CAS	766-39-2
Molecular Weight (g/mol)	126.111
MDL Number	MFCD00005523
SMILES	CC1=C(C(=O)OC1=O)C
Synonym	2,3-dimethylmaleic anhydride,dimethylmaleic anhydride,2,5-furandione, 3,4-dimethyl,pyrocinchonic anhydride,maleic anhydride, dimethyl,dimethylmaleic acid anhydride,2,3-dimethylmaleicanhydride,unii-6pp3n541qa,3,4-dimethyl-furan-2,5-dione,alpha,beta-dimethylmaleic anhydride
IUPAC Name	3,4-dimethylfuran-2,5-dione
InChI Key	MFGALGYVFGDXIX-UHFFFAOYSA-N
Molecular Formula	C6H6O3

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Flavone, 99+%

CAS: 525-82-6 Molecular Formula: C₁₅H₁₀O₂ Molecular Weight (g/mol): 222.24 InChI Key: VHBFFQKBGNRLFZ-UHFFFAOYSA-N Synonym: flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril PubChem CID: 10680 ChEBI: CHEBI:42491 IUPAC Name: 2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

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Specifications

PubChem CID	10680
CAS	525-82-6
Molecular Weight (g/mol)	222.24
ChEBI	CHEBI:42491
SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
Synonym	flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril
IUPAC Name	2-phenylchromen-4-one
InChI Key	VHBFFQKBGNRLFZ-UHFFFAOYSA-N
Molecular Formula	C₁₅H₁₀O₂

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2-Coumaranone, 97%

CAS: 553-86-6 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00005856 InChI Key: ACZGCWSMSTYWDQ-UHFFFAOYSA-N Synonym: 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie PubChem CID: 68382 IUPAC Name: 3H-1-benzofuran-2-one SMILES: C1C2=CC=CC=C2OC1=O

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Specifications

PubChem CID	68382
CAS	553-86-6
Molecular Weight (g/mol)	134.134
MDL Number	MFCD00005856
SMILES	C1C2=CC=CC=C2OC1=O
Synonym	2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie
IUPAC Name	3H-1-benzofuran-2-one
InChI Key	ACZGCWSMSTYWDQ-UHFFFAOYSA-N
Molecular Formula	C8H6O2

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6-Methylchromone, 98%

CAS: 38445-23-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00218598 InChI Key: HTXQVFXXVXOLCF-UHFFFAOYSA-N Synonym: 6-methylchromone,6-methyl-4h-chromen-4-one,6-methylchromone hydrate,chromone, 6-methyl,acmc-20aly0,6-methyl-4h-chromen-4-one #,6-methyl-4-oxo-4h-1-benzopyran,6-methyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-methyl PubChem CID: 594810 IUPAC Name: 6-methylchromen-4-one SMILES: CC1=CC2=C(C=C1)OC=CC2=O

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Specifications

PubChem CID	594810
CAS	38445-23-7
Molecular Weight (g/mol)	160.172
MDL Number	MFCD00218598
SMILES	CC1=CC2=C(C=C1)OC=CC2=O
Synonym	6-methylchromone,6-methyl-4h-chromen-4-one,6-methylchromone hydrate,chromone, 6-methyl,acmc-20aly0,6-methyl-4h-chromen-4-one #,6-methyl-4-oxo-4h-1-benzopyran,6-methyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,6-methyl
IUPAC Name	6-methylchromen-4-one
InChI Key	HTXQVFXXVXOLCF-UHFFFAOYSA-N
Molecular Formula	C10H8O2

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4,5-Dichlorophthalic anhydride, 98%

CAS: 942-06-3 Molecular Formula: C8H2Cl2O3 Molecular Weight (g/mol): 217.00 MDL Number: MFCD00075034 InChI Key: ULSOWUBMELTORB-UHFFFAOYSA-N Synonym: 4,5-dichlorophthalic anhydride,5,6-dichloroisobenzofuran-1,3-dione,4,5-dichlorophthalicanhydride,1,3-isobenzofurandione, 5,6-dichloro,5,6-dichloro-1,3-dihydro-2-benzofuran-1,3-dione,5,6-dichloro-1,3-dihydroisobenzofuran-1,3-dione,5,6-dichlor-2-benzofuran-1,3-dion,pubchem16761,acmc-209rqk,4,5-dichlorophalic anhydride PubChem CID: 70334 IUPAC Name: 5,6-dichloro-2-benzofuran-1,3-dione SMILES: ClC1=CC2=C(C=C1Cl)C(=O)OC2=O

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Specifications

PubChem CID	70334
CAS	942-06-3
Molecular Weight (g/mol)	217.00
MDL Number	MFCD00075034
SMILES	ClC1=CC2=C(C=C1Cl)C(=O)OC2=O
Synonym	4,5-dichlorophthalic anhydride,5,6-dichloroisobenzofuran-1,3-dione,4,5-dichlorophthalicanhydride,1,3-isobenzofurandione, 5,6-dichloro,5,6-dichloro-1,3-dihydro-2-benzofuran-1,3-dione,5,6-dichloro-1,3-dihydroisobenzofuran-1,3-dione,5,6-dichlor-2-benzofuran-1,3-dion,pubchem16761,acmc-209rqk,4,5-dichlorophalic anhydride
IUPAC Name	5,6-dichloro-2-benzofuran-1,3-dione
InChI Key	ULSOWUBMELTORB-UHFFFAOYSA-N
Molecular Formula	C8H2Cl2O3

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4,6-Dimethyl-2-pyrone, 98%

CAS: 675-09-2 Molecular Formula: C₇H₈O₂ Molecular Weight (g/mol): 124.14 MDL Number: MFCD00075555 Synonym: 4,6-dimethyl-2-pyrone,4,6-dimethyl-2h-pyran-2-one,mesitene lactone,4,6-dimethylcoumalin,2h-pyran-2-one, 4,6-dimethyl,4,6-dimethyl-alpha-pyrone,4,6-dimethyl-pyran-2-one,2,4-dimethyl-alpha-pyrone,2,4-dimethyl-.alpha.-pyrone,4,6-dimethyl-.alpha.-pyrone

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CAS	675-09-2
Molecular Weight (g/mol)	124.14
MDL Number	MFCD00075555
Synonym	4,6-dimethyl-2-pyrone,4,6-dimethyl-2h-pyran-2-one,mesitene lactone,4,6-dimethylcoumalin,2h-pyran-2-one, 4,6-dimethyl,4,6-dimethyl-alpha-pyrone,4,6-dimethyl-pyran-2-one,2,4-dimethyl-alpha-pyrone,2,4-dimethyl-.alpha.-pyrone,4,6-dimethyl-.alpha.-pyrone
Molecular Formula	C₇H₈O₂

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4,5',8-Trimethylpsoralen, 97.5%

CAS: 3902-71-4 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00005010 InChI Key: FMHHVULEAZTJMA-UHFFFAOYSA-N Synonym: trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen PubChem CID: 5585 ChEBI: CHEBI:28329 IUPAC Name: 2,5,9-trimethylfuro[3,2-g]chromen-7-one SMILES: CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1

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Specifications

PubChem CID	5585
CAS	3902-71-4
Molecular Weight (g/mol)	228.25
ChEBI	CHEBI:28329
MDL Number	MFCD00005010
SMILES	CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
Synonym	trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen
IUPAC Name	2,5,9-trimethylfuro[3,2-g]chromen-7-one
InChI Key	FMHHVULEAZTJMA-UHFFFAOYSA-N
Molecular Formula	C14H12O3

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Benzo[b]furan-3-acetonitrile, 99%

CAS: 52407-43-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD02183555 InChI Key: BJAJKVZABJZXDC-UHFFFAOYSA-N Synonym: 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile PubChem CID: 2769401 IUPAC Name: 2-(1-benzofuran-3-yl)acetonitrile SMILES: C1=CC=C2C(=C1)C(=CO2)CC#N

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Specifications

PubChem CID	2769401
CAS	52407-43-9
Molecular Weight (g/mol)	157.172
MDL Number	MFCD02183555
SMILES	C1=CC=C2C(=C1)C(=CO2)CC#N
Synonym	1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile
IUPAC Name	2-(1-benzofuran-3-yl)acetonitrile
InChI Key	BJAJKVZABJZXDC-UHFFFAOYSA-N
Molecular Formula	C10H7NO

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Pentadecanolide, 98%

CAS: 106-02-5 Molecular Formula: C15H28O2 Molecular Weight (g/mol): 240.387 MDL Number: MFCD00039667 InChI Key: FKUPPRZPSYCDRS-UHFFFAOYSA-N Synonym: cyclopentadecanolide,exaltolide,pentadecanolide,15-pentadecanolide,pentalide,thibetolide,pentadecan-15-olide,pentadecalactone,muskalactone,muskolactone PubChem CID: 235414 IUPAC Name: oxacyclohexadecan-2-one SMILES: C1CCCCCCCOC(=O)CCCCCC1

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Specifications

PubChem CID	235414
CAS	106-02-5
Molecular Weight (g/mol)	240.387
MDL Number	MFCD00039667
SMILES	C1CCCCCCCOC(=O)CCCCCC1
Synonym	cyclopentadecanolide,exaltolide,pentadecanolide,15-pentadecanolide,pentalide,thibetolide,pentadecan-15-olide,pentadecalactone,muskalactone,muskolactone
IUPAC Name	oxacyclohexadecan-2-one
InChI Key	FKUPPRZPSYCDRS-UHFFFAOYSA-N
Molecular Formula	C15H28O2

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Dibenzofuran, 98%

CAS: 132-64-9 Molecular Formula: C12H8O Molecular Weight (g/mol): 168.195 MDL Number: MFCD00004968 InChI Key: TXCDCPKCNAJMEE-UHFFFAOYSA-N Synonym: dibenzo b,d furan,diphenylene oxide,2,2'-biphenylene oxide,2,2'-biphenylylene oxide,dibenzofurans,dibenzol b,d furan,dibenzofurane,1,1'-biphenyl-2,2'-diyl oxide PubChem CID: 568 ChEBI: CHEBI:28145 IUPAC Name: dibenzofuran SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3O2

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Specifications

PubChem CID	568
CAS	132-64-9
Molecular Weight (g/mol)	168.195
ChEBI	CHEBI:28145
MDL Number	MFCD00004968
SMILES	C1=CC=C2C(=C1)C3=CC=CC=C3O2
Synonym	dibenzo b,d furan,diphenylene oxide,2,2'-biphenylene oxide,2,2'-biphenylylene oxide,dibenzofurans,dibenzol b,d furan,dibenzofurane,1,1'-biphenyl-2,2'-diyl oxide
IUPAC Name	dibenzofuran
InChI Key	TXCDCPKCNAJMEE-UHFFFAOYSA-N
Molecular Formula	C12H8O

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beta-Naphthoflavone, 99+%

CAS: 6051-87-2 Molecular Formula: C₁₉H₁₂O₂ Molecular Weight (g/mol): 272.29 MDL Number: MFCD00004986 InChI Key: OUGIDAPQYNCXRA-UHFFFAOYSA-N Synonym: beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone PubChem CID: 2361 ChEBI: CHEBI:77013 IUPAC Name: 3-phenylbenzo[f]chromen-1-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43

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Specifications

PubChem CID	2361
CAS	6051-87-2
Molecular Weight (g/mol)	272.29
ChEBI	CHEBI:77013
MDL Number	MFCD00004986
SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
Synonym	beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone
IUPAC Name	3-phenylbenzo[f]chromen-1-one
InChI Key	OUGIDAPQYNCXRA-UHFFFAOYSA-N
Molecular Formula	C₁₉H₁₂O₂

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Xanthene-9-carboxylic acid, 98%

CAS: 82-07-5 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD00005059 InChI Key: VSBFNCXKYIEYIS-UHFFFAOYSA-N Synonym: xanthene-9-carboxylic acid,xanthanoic acid,xanthenecarboxylic acid,9-xanthenecarboxylic acid,unii-63a81f6a8v,xanthene-9-carboxylicacid,pubchem17697,maybridge1_006340,9-xanthenylcarboxylic acid,chembl520 PubChem CID: 65736 IUPAC Name: 9H-xanthene-9-carboxylic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O

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Specifications

PubChem CID	65736
CAS	82-07-5
Molecular Weight (g/mol)	226.231
MDL Number	MFCD00005059
SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O
Synonym	xanthene-9-carboxylic acid,xanthanoic acid,xanthenecarboxylic acid,9-xanthenecarboxylic acid,unii-63a81f6a8v,xanthene-9-carboxylicacid,pubchem17697,maybridge1_006340,9-xanthenylcarboxylic acid,chembl520
IUPAC Name	9H-xanthene-9-carboxylic acid
InChI Key	VSBFNCXKYIEYIS-UHFFFAOYSA-N
Molecular Formula	C14H10O3

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2-Aminooxazole, 97%

CAS: 4570-45-0 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD07364485 InChI Key: ACTKAGSPIFDCMF-UHFFFAOYSA-N Synonym: oxazol-2-amine,2-aminooxazole,oxazole-2-amine,2-amino-oxazole,2-oxazolamine,2-amino-1,3-oxazole,oxazol-2-ylamine,2-aminoxazole,1,3-oxazol-2-ylamine,1,3-oxazole-2-ylamine PubChem CID: 558521 IUPAC Name: 1,3-oxazol-2-amine SMILES: NC1=NC=CO1

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Specifications

PubChem CID	558521
CAS	4570-45-0
Molecular Weight (g/mol)	84.08
MDL Number	MFCD07364485
SMILES	NC1=NC=CO1
Synonym	oxazol-2-amine,2-aminooxazole,oxazole-2-amine,2-amino-oxazole,2-oxazolamine,2-amino-1,3-oxazole,oxazol-2-ylamine,2-aminoxazole,1,3-oxazol-2-ylamine,1,3-oxazole-2-ylamine
IUPAC Name	1,3-oxazol-2-amine
InChI Key	ACTKAGSPIFDCMF-UHFFFAOYSA-N
Molecular Formula	C3H4N2O

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