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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.
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1 – 15 of 55 results
1

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
2

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
3

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 90%, Thermo Scientific™

CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

PubChem CID 85624
CAS 16883-16-2
Molecular Weight (g/mol) 221.64
MDL Number MFCD00052205
SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
Synonym 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452
IUPAC Name 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
InChI Key HXEVQMXCHCDPSO-UHFFFAOYSA-N
Molecular Formula C11H8ClNO2
4

Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

PubChem CID 2060599
CAS 21169-71-1
Molecular Weight (g/mol) 113.072
MDL Number MFCD00156151
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name 1,2-oxazole-5-carboxylic acid
InChI Key MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula C4H3NO3
5

5-Methylisoxazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

PubChem CID 76947
CAS 3405-77-4
Molecular Weight (g/mol) 127.099
MDL Number MFCD01318162
SMILES CC1=CC(=NO1)C(=O)O
Synonym 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name 5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula C5H5NO3
6

5-(Bromomethyl)-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 2039-50-1 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.084 MDL Number: MFCD00159724 InChI Key: ANRMBFFXQKJEIS-UHFFFAOYSA-N PubChem CID: 2748796 IUPAC Name: 5-(bromomethyl)-3-phenyl-1,2-oxazole SMILES: C1=CC=C(C=C1)C2=NOC(=C2)CBr

PubChem CID 2748796
CAS 2039-50-1
Molecular Weight (g/mol) 238.084
MDL Number MFCD00159724
SMILES C1=CC=C(C=C1)C2=NOC(=C2)CBr
IUPAC Name 5-(bromomethyl)-3-phenyl-1,2-oxazole
InChI Key ANRMBFFXQKJEIS-UHFFFAOYSA-N
Molecular Formula C10H8BrNO
7

3,5-Dimethylisoxazol-4-yl isocyanate, 95%, Thermo Scientific™

CAS: 131825-41-7 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00119910 InChI Key: JJQYAGYVYNMYGE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole PubChem CID: 2736266 IUPAC Name: 4-isocyanato-3,5-dimethyl-1,2-oxazole SMILES: CC1=C(C(=NO1)C)N=C=O

PubChem CID 2736266
CAS 131825-41-7
Molecular Weight (g/mol) 138.126
MDL Number MFCD00119910
SMILES CC1=C(C(=NO1)C)N=C=O
Synonym 3,5-dimethylisoxazol-4-yl isocyanate,isoxazole,4-isocyanato-3,5-dimethyl,3,5-dimethylisoxazole-4-isocyanate,4-isocyanato-3,5-dimethylisoxazole,3,5-dimethyl isoxazol-4-yl isocyanate,3,5-dimethylisoxazol-4-ylisocyanate,acmc-20mu97,3,5-dimethylisoxazol-4-isocyanate,3,5-dimethyl-4-isocyanatoisoxazole,4-isocyanato3,5-dimethyl-isoxazole
IUPAC Name 4-isocyanato-3,5-dimethyl-1,2-oxazole
InChI Key JJQYAGYVYNMYGE-UHFFFAOYSA-N
Molecular Formula C6H6N2O2
8

(5-Phenylisoxazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 1619-37-0 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD01444104 InChI Key: BPAFLGGUEBMWRN-UHFFFAOYSA-N PubChem CID: 1481082 IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methanol SMILES: C1=CC=C(C=C1)C2=CC(=NO2)CO

PubChem CID 1481082
CAS 1619-37-0
Molecular Weight (g/mol) 175.187
MDL Number MFCD01444104
SMILES C1=CC=C(C=C1)C2=CC(=NO2)CO
IUPAC Name (5-phenyl-1,2-oxazol-3-yl)methanol
InChI Key BPAFLGGUEBMWRN-UHFFFAOYSA-N
Molecular Formula C10H9NO2
9

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

PubChem CID 2776518
CAS 113841-59-1
Molecular Weight (g/mol) 252.111
MDL Number MFCD03086124
SMILES CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
10

Isoxazole-5-carboxylic acid, 98%

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

PubChem CID 2060599
CAS 21169-71-1
Molecular Weight (g/mol) 113.072
MDL Number MFCD00156151
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name 1,2-oxazole-5-carboxylic acid
InChI Key MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula C4H3NO3
11

Isoxazole-5-carbonyl chloride, 97%

CAS: 62348-13-4 Molecular Formula: C4H2ClNO2 Molecular Weight (g/mol): 131.52 MDL Number: MFCD00067868 InChI Key: NASLINFISOTVJJ-UHFFFAOYSA-N Synonym: isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci PubChem CID: 2736707 IUPAC Name: 1,2-oxazole-5-carbonyl chloride SMILES: ClC(=O)C1=CC=NO1

PubChem CID 2736707
CAS 62348-13-4
Molecular Weight (g/mol) 131.52
MDL Number MFCD00067868
SMILES ClC(=O)C1=CC=NO1
Synonym isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci
IUPAC Name 1,2-oxazole-5-carbonyl chloride
InChI Key NASLINFISOTVJJ-UHFFFAOYSA-N
Molecular Formula C4H2ClNO2
12

Methyl 5-methylisoxazole-3-carboxylate, 97%

CAS: 19788-35-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00015895 InChI Key: MVHHQOCEOUNTID-UHFFFAOYSA-N Synonym: methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r PubChem CID: 88245 IUPAC Name: methyl 5-methyl-1,2-oxazole-3-carboxylate SMILES: COC(=O)C1=NOC(C)=C1

PubChem CID 88245
CAS 19788-35-3
Molecular Weight (g/mol) 141.13
MDL Number MFCD00015895
SMILES COC(=O)C1=NOC(C)=C1
Synonym methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r
IUPAC Name methyl 5-methyl-1,2-oxazole-3-carboxylate
InChI Key MVHHQOCEOUNTID-UHFFFAOYSA-N
Molecular Formula C6H7NO3
13

3-Methylisoxazole-5-carboxylic acid, 97%

CAS: 4857-42-5 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD00464222 InChI Key: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC Name: 3-methyl-1,2-oxazole-5-carboxylic acid SMILES: CC1=NOC(=C1)C(=O)O

PubChem CID 853085
CAS 4857-42-5
Molecular Weight (g/mol) 127.099
MDL Number MFCD00464222
SMILES CC1=NOC(=C1)C(=O)O
Synonym 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
IUPAC Name 3-methyl-1,2-oxazole-5-carboxylic acid
InChI Key HXIYCKAAQPHZBM-UHFFFAOYSA-N
Molecular Formula C5H5NO3
14

3,5-Dimethylisoxazole, 99%

CAS: 300-87-8 Molecular Formula: C5H7NO Molecular Weight (g/mol): 97.117 MDL Number: MFCD00003156 InChI Key: FICAQKBMCKEFDI-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole PubChem CID: 9312 IUPAC Name: 3,5-dimethyl-1,2-oxazole SMILES: CC1=CC(=NO1)C

PubChem CID 9312
CAS 300-87-8
Molecular Weight (g/mol) 97.117
MDL Number MFCD00003156
SMILES CC1=CC(=NO1)C
Synonym 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole
IUPAC Name 3,5-dimethyl-1,2-oxazole
InChI Key FICAQKBMCKEFDI-UHFFFAOYSA-N
Molecular Formula C5H7NO
15

3,5-Dimethylisoxazole-4-boronic acid, 97%

CAS: 16114-47-9 Molecular Formula: C5H8BNO3 Molecular Weight (g/mol): 140.933 MDL Number: MFCD02677945 InChI Key: DIIFZCPZIRQDIJ-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid PubChem CID: 2734346 IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid SMILES: B(C1=C(ON=C1C)C)(O)O

PubChem CID 2734346
CAS 16114-47-9
Molecular Weight (g/mol) 140.933
MDL Number MFCD02677945
SMILES B(C1=C(ON=C1C)C)(O)O
Synonym 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid
IUPAC Name (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
InChI Key DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Molecular Formula C5H8BNO3