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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.
Imidazoles (2,523)
Thiazoles (1,535)
Pyrazoles (1,311)
Triazoles (575)
Oxazoles (429)
Isoxazoles (235)
Oxadiazoles (212)
Thiadiazoles (70)
Dithiazoles (4)

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121 – 135 of 5,632 results
121

(2,4-Diphenyl-1,3-thiazol-5-yl)methanol, ≥97%, Thermo Scientific™

CAS: 864068-86-0 Molecular Formula: C16H13NOS Molecular Weight (g/mol): 267.35 MDL Number: MFCD08060522 InChI Key: IVIJHUHOSCRMNY-UHFFFAOYSA-N Synonym: 2,4-diphenyl-1,3-thiazol-5-yl methanol,diphenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2,4-diphenyl,2,4-diphenylthiazol-5-yl methanol PubChem CID: 7537555 IUPAC Name: (2,4-diphenyl-1,3-thiazol-5-yl)methanol SMILES: OCC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 7537555
CAS 864068-86-0
Molecular Weight (g/mol) 267.35
MDL Number MFCD08060522
SMILES OCC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2,4-diphenyl-1,3-thiazol-5-yl methanol,diphenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2,4-diphenyl,2,4-diphenylthiazol-5-yl methanol
IUPAC Name (2,4-diphenyl-1,3-thiazol-5-yl)methanol
InChI Key IVIJHUHOSCRMNY-UHFFFAOYSA-N
Molecular Formula C16H13NOS
122

[1,2,4]Triazolo[4,3-a]pyridine-3-thiol, 97%, Thermo Scientific™

CAS: 6952-68-7 Molecular Formula: C6H5N3S Molecular Weight (g/mol): 151.19 MDL Number: MFCD03783345 InChI Key: ZQMDNIPQCWNIMG-UHFFFAOYSA-N Synonym: 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol PubChem CID: 676422 IUPAC Name: 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione SMILES: S=C1NN=C2C=CC=CN12

PubChem CID 676422
CAS 6952-68-7
Molecular Weight (g/mol) 151.19
MDL Number MFCD03783345
SMILES S=C1NN=C2C=CC=CN12
Synonym 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol
IUPAC Name 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
InChI Key ZQMDNIPQCWNIMG-UHFFFAOYSA-N
Molecular Formula C6H5N3S
123

1,2,4-Triazolo[4,3-a]pyridine-3-thiol, 96%

CAS: 6952-68-7 Molecular Formula: C6H5N3S Molecular Weight (g/mol): 151.19 MDL Number: MFCD03783345 InChI Key: ZQMDNIPQCWNIMG-UHFFFAOYSA-N Synonym: 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol PubChem CID: 676422 IUPAC Name: 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione SMILES: S=C1NN=C2C=CC=CN12

PubChem CID 676422
CAS 6952-68-7
Molecular Weight (g/mol) 151.19
MDL Number MFCD03783345
SMILES S=C1NN=C2C=CC=CN12
Synonym 1,2,4 triazolo 4,3-a pyridine-3-thiol,1,2,4-triazolo 4,3-a pyridine-3 2h-thione,s-triazolo 4,3-a pyridine-3 2h-thione,unii-t0rly3osj5,t0rly3osj5,2h-1,2,4 triazolo 4,3-a pyridine-3-thione,1,2,4 triazolo 4,3-a pyridine-3 2h-thione,3-mercaptotriazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine-3-thiol
IUPAC Name 2H,3H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
InChI Key ZQMDNIPQCWNIMG-UHFFFAOYSA-N
Molecular Formula C6H5N3S
124

Ethyl 2-bromothiazole-4-carboxylate, 96%

CAS: 100367-77-9 Molecular Formula: C6H6BrNO2S Molecular Weight (g/mol): 236.09 InChI Key: CNHISCQPKKGDPO-UHFFFAOYSA-N Synonym: ethyl 2-bromothiazole-4-carboxylate,2-bromothiazole-4-carboxylic acid ethyl ester,4-thiazolecarboxylic acid, 2-bromo-, ethyl ester,ethyl2-bromothiazole-4-carboxylate,ethyl 2-bromo-4-thiazolecarboxylate,2-bromo-thiazole-4-carboxylic acid ethyl ester,2-bromo-4-ethoxycarbonyl-1,3-thiazole,2-bromo-1,3-thiazole-4-carboxylic acid ethyl ester,zlchem 490,pubchem17466 PubChem CID: 353965 IUPAC Name: ethyl 2-bromo-1,3-thiazole-4-carboxylate SMILES: CCOC(=O)C1=CSC(=N1)Br

PubChem CID 353965
CAS 100367-77-9
Molecular Weight (g/mol) 236.09
SMILES CCOC(=O)C1=CSC(=N1)Br
Synonym ethyl 2-bromothiazole-4-carboxylate,2-bromothiazole-4-carboxylic acid ethyl ester,4-thiazolecarboxylic acid, 2-bromo-, ethyl ester,ethyl2-bromothiazole-4-carboxylate,ethyl 2-bromo-4-thiazolecarboxylate,2-bromo-thiazole-4-carboxylic acid ethyl ester,2-bromo-4-ethoxycarbonyl-1,3-thiazole,2-bromo-1,3-thiazole-4-carboxylic acid ethyl ester,zlchem 490,pubchem17466
IUPAC Name ethyl 2-bromo-1,3-thiazole-4-carboxylate
InChI Key CNHISCQPKKGDPO-UHFFFAOYSA-N
Molecular Formula C6H6BrNO2S
125

1-Methyl-1H-imidazole-4-sulfonamide, 97%, Thermo Scientific™

CAS: 111124-90-4 Molecular Formula: C4H7N3O2S Molecular Weight (g/mol): 161.18 MDL Number: MFCD02091382 InChI Key: QBJSSOBNVYDCDQ-UHFFFAOYSA-N PubChem CID: 2736885 IUPAC Name: 1-methylimidazole-4-sulfonamide SMILES: CN1C=NC(=C1)S(N)(=O)=O

PubChem CID 2736885
CAS 111124-90-4
Molecular Weight (g/mol) 161.18
MDL Number MFCD02091382
SMILES CN1C=NC(=C1)S(N)(=O)=O
IUPAC Name 1-methylimidazole-4-sulfonamide
InChI Key QBJSSOBNVYDCDQ-UHFFFAOYSA-N
Molecular Formula C4H7N3O2S
126

4-Methyl-1,3-oxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 2510-32-9 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 InChI Key: ZIXUNDOOBLSXPE-UHFFFAOYSA-N Synonym: 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl PubChem CID: 292311 IUPAC Name: 4-methyl-1,3-oxazole-5-carboxylic acid SMILES: CC1=C(OC=N1)C(=O)O

PubChem CID 292311
CAS 2510-32-9
Molecular Weight (g/mol) 127.099
SMILES CC1=C(OC=N1)C(=O)O
Synonym 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl
IUPAC Name 4-methyl-1,3-oxazole-5-carboxylic acid
InChI Key ZIXUNDOOBLSXPE-UHFFFAOYSA-N
Molecular Formula C5H5NO3
127

1-(4-Trifluoromethyl-2-pyrimidinyl)-1H-pyrazole-4-sulfonyl chloride, 95%

CAS: 1215564-15-0 Molecular Formula: C8H4ClF3N4O2S Molecular Weight (g/mol): 312.651 MDL Number: MFCD11505058 InChI Key: SADUDBJMXGGXDE-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl-2-pyrimidinyl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulphonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl pyrazole-4-sulfonyl chloride,chloro 1-4-trifluoromethyl pyrimidin-2-yl pyrazol-4-yl sulfone PubChem CID: 51063957 IUPAC Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-sulfonyl chloride SMILES: C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl

PubChem CID 51063957
CAS 1215564-15-0
Molecular Weight (g/mol) 312.651
MDL Number MFCD11505058
SMILES C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl
Synonym 1-4-trifluoromethyl-2-pyrimidinyl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulphonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl pyrazole-4-sulfonyl chloride,chloro 1-4-trifluoromethyl pyrimidin-2-yl pyrazol-4-yl sulfone
IUPAC Name 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-sulfonyl chloride
InChI Key SADUDBJMXGGXDE-UHFFFAOYSA-N
Molecular Formula C8H4ClF3N4O2S
128

Ethyl 3,5-dimethylisoxazole-4-carboxylate, 97%

CAS: 17147-42-1 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00052557 InChI Key: OQRHVDXUJAQVNT-UHFFFAOYSA-N Synonym: ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole PubChem CID: 736348 IUPAC Name: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=C(ON=C1C)C

PubChem CID 736348
CAS 17147-42-1
Molecular Weight (g/mol) 169.18
MDL Number MFCD00052557
SMILES CCOC(=O)C1=C(ON=C1C)C
Synonym ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole
IUPAC Name ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
InChI Key OQRHVDXUJAQVNT-UHFFFAOYSA-N
Molecular Formula C8H11NO3
129

5-Chloro-1,2,4-triazolo[4,3-a]pyridine, 97%

CAS: 27187-13-9 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD11109431 InChI Key: FBQZXTMUYNKLRF-UHFFFAOYSA-N Synonym: 5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine PubChem CID: 324440 IUPAC Name: 5-chloro-[1,2,4]triazolo[4,3-a]pyridine SMILES: ClC1=CC=CC2=NN=CN12

PubChem CID 324440
CAS 27187-13-9
Molecular Weight (g/mol) 153.57
MDL Number MFCD11109431
SMILES ClC1=CC=CC2=NN=CN12
Synonym 5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine
IUPAC Name 5-chloro-[1,2,4]triazolo[4,3-a]pyridine
InChI Key FBQZXTMUYNKLRF-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
130

Methyl isoxazole-5-carboxylate, 97%

CAS: 15055-81-9 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01570794 InChI Key: ILPCPKZAAQXHKL-UHFFFAOYSA-N Synonym: methyl isoxazole-5-carboxylate,5-isoxazolecarboxylic acid, methyl ester,isoxazole-5-carboxylic acid methyl ester,acmc-209wih,methyl 5-isoxazolcarboxylate,methyl 5-isoxazolcarboxylate;,methylisoxazole-5-carboxylate,5-methoxycarbonyl-1,2-oxazol,5-isoxazol-carbonsaeure-methylester;,isoxazol-5-carbonsaeure-methylester; PubChem CID: 2736892 IUPAC Name: methyl 1,2-oxazole-5-carboxylate SMILES: COC(=O)C1=CC=NO1

PubChem CID 2736892
CAS 15055-81-9
Molecular Weight (g/mol) 127.099
MDL Number MFCD01570794
SMILES COC(=O)C1=CC=NO1
Synonym methyl isoxazole-5-carboxylate,5-isoxazolecarboxylic acid, methyl ester,isoxazole-5-carboxylic acid methyl ester,acmc-209wih,methyl 5-isoxazolcarboxylate,methyl 5-isoxazolcarboxylate;,methylisoxazole-5-carboxylate,5-methoxycarbonyl-1,2-oxazol,5-isoxazol-carbonsaeure-methylester;,isoxazol-5-carbonsaeure-methylester;
IUPAC Name methyl 1,2-oxazole-5-carboxylate
InChI Key ILPCPKZAAQXHKL-UHFFFAOYSA-N
Molecular Formula C5H5NO3
131

Thermo Scientific Chemicals 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
132

Thermo Scientific Chemicals 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
133

1-n-Hexyl-3-methylimidazolium hexafluorophosphate, 99%

CAS: 304680-35-1 Molecular Formula: C10H19F6N2P Molecular Weight (g/mol): 312.24 MDL Number: MFCD03093296 InChI Key: YPWSSSRXUOQNMQ-UHFFFAOYSA-N Synonym: 1-hexyl-3-methylimidazolium hexafluorophosphate,1-hexyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,1-n-hexyl-3-methylimidazolium hexafluorophosphate,acmc-209hg2,dsstox_cid_27925,dsstox_rid_82678,dsstox_gsid_47949,ksc222c9l,1-hexyl-3-methyl-imidazol-3-ium hexafluorophosphate,1-hex-1-yl-3-methyl-1h-imidazol-3-ium hexafluorophosphate PubChem CID: 2734175 SMILES: F[P-](F)(F)(F)(F)F.CCCCCCN1C=C[N+](C)=C1

PubChem CID 2734175
CAS 304680-35-1
Molecular Weight (g/mol) 312.24
MDL Number MFCD03093296
SMILES F[P-](F)(F)(F)(F)F.CCCCCCN1C=C[N+](C)=C1
Synonym 1-hexyl-3-methylimidazolium hexafluorophosphate,1-hexyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,1-n-hexyl-3-methylimidazolium hexafluorophosphate,acmc-209hg2,dsstox_cid_27925,dsstox_rid_82678,dsstox_gsid_47949,ksc222c9l,1-hexyl-3-methyl-imidazol-3-ium hexafluorophosphate,1-hex-1-yl-3-methyl-1h-imidazol-3-ium hexafluorophosphate
InChI Key YPWSSSRXUOQNMQ-UHFFFAOYSA-N
Molecular Formula C10H19F6N2P
134

3-Amino-6-bromo-1H-indazole, 97%

CAS: 404827-77-6 Molecular Formula: C7H6BrN3 Molecular Weight (g/mol): 212.05 MDL Number: MFCD05665872 InChI Key: WLDHNAMVDBASAW-UHFFFAOYSA-N PubChem CID: 2786631 IUPAC Name: 6-bromo-1H-indazol-3-amine SMILES: C1=CC2=C(C=C1Br)NN=C2N

PubChem CID 2786631
CAS 404827-77-6
Molecular Weight (g/mol) 212.05
MDL Number MFCD05665872
SMILES C1=CC2=C(C=C1Br)NN=C2N
IUPAC Name 6-bromo-1H-indazol-3-amine
InChI Key WLDHNAMVDBASAW-UHFFFAOYSA-N
Molecular Formula C7H6BrN3
135

5-Methylisoxazole-3-carboxylic acid, 98+%

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