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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (215)
Imidazoles (135)
Pyrazoles (99)
Isoxazoles (95)
Oxazoles (69)
Triazoles (36)
Oxadiazoles (21)
Thiadiazoles (14)

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1 – 15 of 317 results
1

Isoxazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 175334-72-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00276995 InChI Key: CEDRGDFENMZKCQ-UHFFFAOYSA-N Synonym: isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione PubChem CID: 2799515 IUPAC Name: 1,2-oxazole-5-carbothioamide SMILES: NC(=S)C1=CC=NO1

PubChem CID 2799515
CAS 175334-72-2
Molecular Weight (g/mol) 128.15
MDL Number MFCD00276995
SMILES NC(=S)C1=CC=NO1
Synonym isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione
IUPAC Name 1,2-oxazole-5-carbothioamide
InChI Key CEDRGDFENMZKCQ-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
2

3,4-Dimethylisoxazol-5-amine, 97%, Thermo Scientific™

CAS: 19947-75-2 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00046081 InChI Key: PYNDWPFZDQONDV-UHFFFAOYSA-N Synonym: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine SMILES: CC1=C(ON=C1C)N

PubChem CID 88317
CAS 19947-75-2
Molecular Weight (g/mol) 112.132
MDL Number MFCD00046081
SMILES CC1=C(ON=C1C)N
Synonym 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
IUPAC Name 3,4-dimethyl-1,2-oxazol-5-amine
InChI Key PYNDWPFZDQONDV-UHFFFAOYSA-N
Molecular Formula C5H8N2O
3

5-Nitro-1H-pyrazole, 90%, Thermo Scientific™

CAS: 26621-44-3 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159621,MFCD00238787 InChI Key: MZRUFMBFIKGOAL-UHFFFAOYSA-N Synonym: 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole PubChem CID: 123419 IUPAC Name: 5-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=NN1

PubChem CID 123419
CAS 26621-44-3
Molecular Weight (g/mol) 113.08
MDL Number MFCD00159621,MFCD00238787
SMILES [O-][N+](=O)C1=CC=NN1
Synonym 3-nitro-1h-pyrazole,3-nitropyrazole,1h-pyrazole, 3-nitro,3-nitro-2h-pyrazole,nitropyrazole,pyrazole, 3-nitro,5-nitro-1h-pyrazol,djw 94,djw-94,5-nitropyrazole
IUPAC Name 5-nitro-1H-pyrazole
InChI Key MZRUFMBFIKGOAL-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
4

1H-Imidazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O

PubChem CID 76428
CAS 3034-50-2
Molecular Weight (g/mol) 96.089
MDL Number MFCD00173726
SMILES C1=C(NC=N1)C=O
Synonym 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde
IUPAC Name 1H-imidazole-5-carbaldehyde
InChI Key ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Formula C4H4N2O
5

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
6

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

CAS: 35166-37-1 Molecular Formula: C5H6ClNO Molecular Weight (g/mol): 131.56 MDL Number: MFCD00221166 InChI Key: FEXTXBAFBURKGS-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole PubChem CID: 2735763 IUPAC Name: 3-(chloromethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CCl)=NO1

PubChem CID 2735763
CAS 35166-37-1
Molecular Weight (g/mol) 131.56
MDL Number MFCD00221166
SMILES CC1=CC(CCl)=NO1
Synonym 3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole
IUPAC Name 3-(chloromethyl)-5-methyl-1,2-oxazole
InChI Key FEXTXBAFBURKGS-UHFFFAOYSA-N
Molecular Formula C5H6ClNO
7

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
8

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
9

5-Methyl-3-isoxazolecarbonitrile, 97%, Thermo Scientific™

CAS: 57351-99-2 Molecular Formula: C5H4N2O Molecular Weight (g/mol): 108.10 MDL Number: MFCD09064940 InChI Key: JTPIMYCMWLOEDD-UHFFFAOYSA-N PubChem CID: 24229456 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonitrile SMILES: CC1=CC(=NO1)C#N

PubChem CID 24229456
CAS 57351-99-2
Molecular Weight (g/mol) 108.10
MDL Number MFCD09064940
SMILES CC1=CC(=NO1)C#N
IUPAC Name 5-methyl-1,2-oxazole-3-carbonitrile
InChI Key JTPIMYCMWLOEDD-UHFFFAOYSA-N
Molecular Formula C5H4N2O
10

Isoxazole-5-carbonyl chloride, TECH, Thermo Scientific™

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
11

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
12

4,5-Dichloroisothiazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 131947-13-2 Molecular Formula: C4HCl2NO2S Molecular Weight (g/mol): 198.017 MDL Number: MFCD00186468 InChI Key: ZFEHQZVNKOESSZ-UHFFFAOYSA-N PubChem CID: 1244565 IUPAC Name: 4,5-dichloro-1,2-thiazole-3-carboxylic acid SMILES: C1(=C(SN=C1C(=O)O)Cl)Cl

PubChem CID 1244565
CAS 131947-13-2
Molecular Weight (g/mol) 198.017
MDL Number MFCD00186468
SMILES C1(=C(SN=C1C(=O)O)Cl)Cl
IUPAC Name 4,5-dichloro-1,2-thiazole-3-carboxylic acid
InChI Key ZFEHQZVNKOESSZ-UHFFFAOYSA-N
Molecular Formula C4HCl2NO2S
13

4-Methyloxazole-5-carbonyl chloride, 97%, Thermo Scientific™

CAS: 62348-24-7 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD06200856 InChI Key: YPKNOSGIABPXKS-UHFFFAOYSA-N Synonym: 4-methyloxazole-5-carbonyl chloride,5-oxazolecarbonyl chloride, 4-methyl,4-methyloxazole-5-carbonylchloride,4-methyl-5-oxazolecarbonyl chloride,4-methyl oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl-chloride,4-methyloxazole-5-carboxylic acid chloride,5-oxazolecarbonyl chloride, 4-methyl-9ci PubChem CID: 2795217 IUPAC Name: 4-methyl-1,3-oxazole-5-carbonyl chloride SMILES: CC1=C(OC=N1)C(Cl)=O

PubChem CID 2795217
CAS 62348-24-7
Molecular Weight (g/mol) 145.54
MDL Number MFCD06200856
SMILES CC1=C(OC=N1)C(Cl)=O
Synonym 4-methyloxazole-5-carbonyl chloride,5-oxazolecarbonyl chloride, 4-methyl,4-methyloxazole-5-carbonylchloride,4-methyl-5-oxazolecarbonyl chloride,4-methyl oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl chloride,4-methyl-oxazole-5-carbonyl-chloride,4-methyloxazole-5-carboxylic acid chloride,5-oxazolecarbonyl chloride, 4-methyl-9ci
IUPAC Name 4-methyl-1,3-oxazole-5-carbonyl chloride
InChI Key YPKNOSGIABPXKS-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
14

5-Methyl-4-isoxazolecarbonyl chloride, 97%, Thermo Scientific™

CAS: 67305-24-2 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.542 InChI Key: ZKAQPVQEYCFRTK-UHFFFAOYSA-N Synonym: 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl PubChem CID: 2759917 IUPAC Name: 5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C=NO1)C(=O)Cl

PubChem CID 2759917
CAS 67305-24-2
Molecular Weight (g/mol) 145.542
SMILES CC1=C(C=NO1)C(=O)Cl
Synonym 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl
IUPAC Name 5-methyl-1,2-oxazole-4-carbonyl chloride
InChI Key ZKAQPVQEYCFRTK-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
15

2-methyl-1,3-oxazole-4-carbaldehyde, Thermo Scientific™

CAS: 113732-84-6 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 InChI Key: ARAUEWKXKTYCHZ-UHFFFAOYSA-N Synonym: 2-methyloxazole-4-carbaldehyde,2-methyl-oxazole-4-carbaldehyde,2-methyloxazole-4-carboxaldehyde,2-methyl-4-formyloxazole,4-oxazolecarboxaldehyde, 2-methyl,4-formyl-2-methyl-1,3-oxazole,2-methyl-1,3-oxazole-4-carboxaldehyde,acmc-20ai0d,2-methyl-4-oxazolecarbaldehyde PubChem CID: 11073372 IUPAC Name: 2-methyl-1,3-oxazole-4-carbaldehyde SMILES: CC1=NC(=CO1)C=O

PubChem CID 11073372
CAS 113732-84-6
Molecular Weight (g/mol) 111.1
SMILES CC1=NC(=CO1)C=O
Synonym 2-methyloxazole-4-carbaldehyde,2-methyl-oxazole-4-carbaldehyde,2-methyloxazole-4-carboxaldehyde,2-methyl-4-formyloxazole,4-oxazolecarboxaldehyde, 2-methyl,4-formyl-2-methyl-1,3-oxazole,2-methyl-1,3-oxazole-4-carboxaldehyde,acmc-20ai0d,2-methyl-4-oxazolecarbaldehyde
IUPAC Name 2-methyl-1,3-oxazole-4-carbaldehyde
InChI Key ARAUEWKXKTYCHZ-UHFFFAOYSA-N
Molecular Formula C5H5NO2