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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5-Aminophthalide, 97%, Thermo Scientific Chemicals

CAS: 65399-05-5 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00778315 InChI Key: ISMUWQMUWFPFBZ-UHFFFAOYSA-N Synonym: 5-aminophthalide,5-aminoisobenzofuran-1 3h-one,5-amino-3h-isobenzofuran-1-one,5-amino-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 5-amino,5-amino-1 3h-isobenzofuranone,5-amino-1,3-dihydro-2-benzofuran-1-one,5-amino-3-hydroisobenzofuran-1-one,5-aminophthliade,5-amino-phthalide PubChem CID: 720669 IUPAC Name: 5-amino-3H-2-benzofuran-1-one SMILES: C1C2=C(C=CC(=C2)N)C(=O)O1

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Specifications

PubChem CID	720669
CAS	65399-05-5
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00778315
SMILES	C1C2=C(C=CC(=C2)N)C(=O)O1
Synonym	5-aminophthalide,5-aminoisobenzofuran-1 3h-one,5-amino-3h-isobenzofuran-1-one,5-amino-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 5-amino,5-amino-1 3h-isobenzofuranone,5-amino-1,3-dihydro-2-benzofuran-1-one,5-amino-3-hydroisobenzofuran-1-one,5-aminophthliade,5-amino-phthalide
IUPAC Name	5-amino-3H-2-benzofuran-1-one
InChI Key	ISMUWQMUWFPFBZ-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

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

5-Methyl-3-phenyl-1,2,4-oxadiazole, 97%

CAS: 1198-98-7 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00085133 InChI Key: VRRLZUXQTZOCKJ-UHFFFAOYSA-N Synonym: phenylmethyloxadiazole,5-methyl-3-phenyl-1,2,4-oxadiazol,1,2,4-oxadiazole, 5-methyl-3-phenyl,1,4-oxadiazole, 5-methyl-3-phenyl,3-phenyl-5-methyl-1,2,4-oxadiazole,5-methyl-3-phenyl-1,2,4 oxadiazole,1,2,4-oxadiazole, 5-methyl-3-phenyl-8ci 9ci PubChem CID: 98806 IUPAC Name: 5-methyl-3-phenyl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C1=CC=CC=C1

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Specifications

PubChem CID	98806
CAS	1198-98-7
Molecular Weight (g/mol)	160.18
MDL Number	MFCD00085133
SMILES	CC1=NC(=NO1)C1=CC=CC=C1
Synonym	phenylmethyloxadiazole,5-methyl-3-phenyl-1,2,4-oxadiazol,1,2,4-oxadiazole, 5-methyl-3-phenyl,1,4-oxadiazole, 5-methyl-3-phenyl,3-phenyl-5-methyl-1,2,4-oxadiazole,5-methyl-3-phenyl-1,2,4 oxadiazole,1,2,4-oxadiazole, 5-methyl-3-phenyl-8ci 9ci
IUPAC Name	5-methyl-3-phenyl-1,2,4-oxadiazole
InChI Key	VRRLZUXQTZOCKJ-UHFFFAOYSA-N
Molecular Formula	C9H8N2O

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

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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Specifications

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

Oxazole, 98+%

CAS: 288-42-6 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.063 MDL Number: MFCD00009751 InChI Key: ZCQWOFVYLHDMMC-UHFFFAOYSA-N Synonym: oxazole,unii-fjz20i1lps,fjz20i1lps,oxazol,1,3-oxazol,pubchem8626,oxazole 1g PubChem CID: 9255 ChEBI: CHEBI:35597 IUPAC Name: 1,3-oxazole SMILES: C1=COC=N1

Pricing and Availability
Specifications

PubChem CID	9255
CAS	288-42-6
Molecular Weight (g/mol)	69.063
ChEBI	CHEBI:35597
MDL Number	MFCD00009751
SMILES	C1=COC=N1
Synonym	oxazole,unii-fjz20i1lps,fjz20i1lps,oxazol,1,3-oxazol,pubchem8626,oxazole 1g
IUPAC Name	1,3-oxazole
InChI Key	ZCQWOFVYLHDMMC-UHFFFAOYSA-N
Molecular Formula	C3H3NO

4,5',8-Trimethylpsoralen, 99%

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-trimethyl-7H-furo[3,2-g]chromen-7-one SMILES: CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1

Pricing and Availability
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-trimethyl-7H-furo[3,2-g]chromen-7-one
InChI Key	FMHHVULEAZTJMA-UHFFFAOYSA-N
Molecular Formula	C14H12O3

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

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

2,2-Dimethyl-1,3-dioxolane, 98+%

CAS: 2916-31-6 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00014106 InChI Key: SIJBDWPVNAYVGY-UHFFFAOYSA-N PubChem CID: 76209 IUPAC Name: 2,2-dimethyl-1,3-dioxolane SMILES: CC1(C)OCCO1

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Specifications

PubChem CID	76209
CAS	2916-31-6
Molecular Weight (g/mol)	102.13
MDL Number	MFCD00014106
SMILES	CC1(C)OCCO1
IUPAC Name	2,2-dimethyl-1,3-dioxolane
InChI Key	SIJBDWPVNAYVGY-UHFFFAOYSA-N
Molecular Formula	C5H10O2

Citraconic anhydride, 98%

CAS: 616-02-4 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00005522 InChI Key: AYKYXWQEBUNJCN-UHFFFAOYSA-N Synonym: citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx PubChem CID: 12012 IUPAC Name: 3-methylfuran-2,5-dione SMILES: CC1=CC(=O)OC1=O

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Specifications

PubChem CID	12012
CAS	616-02-4
Molecular Weight (g/mol)	112.084
MDL Number	MFCD00005522
SMILES	CC1=CC(=O)OC1=O
Synonym	citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx
IUPAC Name	3-methylfuran-2,5-dione
InChI Key	AYKYXWQEBUNJCN-UHFFFAOYSA-N
Molecular Formula	C5H4O3

Citraconic anhydride, 98%

CAS: 616-02-4 Molecular Formula: C₅H₄O₃ Molecular Weight (g/mol): 112.08 MDL Number: MFCD00005522 InChI Key: AYKYXWQEBUNJCN-UHFFFAOYSA-N Synonym: citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx PubChem CID: 12012 IUPAC Name: 3-methylfuran-2,5-dione SMILES: CC1=CC(=O)OC1=O

Pricing and Availability
Specifications

PubChem CID	12012
CAS	616-02-4
Molecular Weight (g/mol)	112.08
MDL Number	MFCD00005522
SMILES	CC1=CC(=O)OC1=O
Synonym	citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx
IUPAC Name	3-methylfuran-2,5-dione
InChI Key	AYKYXWQEBUNJCN-UHFFFAOYSA-N
Molecular Formula	C₅H₄O₃

Xanthydrol, 98+%

CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O

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Specifications

PubChem CID	72861
CAS	90-46-0
Molecular Weight (g/mol)	198.221
MDL Number	MFCD00005057
SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
Synonym	9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol
IUPAC Name	9H-xanthen-9-ol
InChI Key	JFRMYMMIJXLMBB-UHFFFAOYSA-N
Molecular Formula	C13H10O2

Ifosfamide

CAS: 3778-73-2 Molecular Formula: C₇H₁₅Cl₂N₂O₂P Molecular Weight (g/mol): 261.09 InChI Key: HOMGKSMUEGBAAB-UHFFFAOYSA-N Synonym: ifosfamide,isophosphamide,iphosphamide,isofosfamide,ifosfamid,mitoxana,naxamide,iphosphamid,isoendoxan,ifex PubChem CID: 3690 ChEBI: CHEBI:5864 IUPAC Name: N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine SMILES: C1CN(P(=O)(OC1)NCCCl)CCCl

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Specifications

PubChem CID	3690
CAS	3778-73-2
Molecular Weight (g/mol)	261.09
ChEBI	CHEBI:5864
SMILES	C1CN(P(=O)(OC1)NCCCl)CCCl
Synonym	ifosfamide,isophosphamide,iphosphamide,isofosfamide,ifosfamid,mitoxana,naxamide,iphosphamid,isoendoxan,ifex
IUPAC Name	N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
InChI Key	HOMGKSMUEGBAAB-UHFFFAOYSA-N
Molecular Formula	C₇H₁₅Cl₂N₂O₂P

3-Methylphthalic anhydride, 96%, Thermo Scientific Chemicals

CAS: 4792-30-7 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00047316 InChI Key: TWWAWPHAOPTQEU-UHFFFAOYSA-N Synonym: 3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb PubChem CID: 98500 IUPAC Name: 4-methyl-2-benzofuran-1,3-dione SMILES: CC1=CC=CC2=C1C(=O)OC2=O

Pricing and Availability
Specifications

PubChem CID	98500
CAS	4792-30-7
Molecular Weight (g/mol)	162.14
MDL Number	MFCD00047316
SMILES	CC1=CC=CC2=C1C(=O)OC2=O
Synonym	3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb
IUPAC Name	4-methyl-2-benzofuran-1,3-dione
InChI Key	TWWAWPHAOPTQEU-UHFFFAOYSA-N
Molecular Formula	C9H6O3

Oxacyclic compounds

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