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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 (7,287)
Imidazoles (5,922)
Pyrazoles (2,019)
Oxazoles (1,548)
Triazoles (655)
Oxadiazoles (492)
Isoxazoles (260)
Thiadiazoles (88)
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76 – 90 of 17,055 results
76

(1-Methyl-5-thien-2-yl-1H-pyrazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 879896-47-6 Molecular Formula: C9H10N2OS Molecular Weight (g/mol): 194.252 MDL Number: MFCD08435882 InChI Key: HJYKWWXWCFOUID-UHFFFAOYSA-N Synonym: 1-methyl-5-thien-2-yl-1h-pyrazol-3-yl methanol,1h-pyrazole-3-methanol,1-methyl-5-2-thienyl,1-methyl-5-thiophen-2-yl pyrazol-3-yl methanol,1-methyl-5-thiophen-2-yl-1h-pyrazol-3-yl methanol,1-methyl-5-2-thienyl pyrazol-3-yl methan-1-ol,3-hydroxymethyl-1-methyl-5-2-thienyl-1h-pyrazole PubChem CID: 18525806 IUPAC Name: (1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanol SMILES: CN1C(=CC(=N1)CO)C2=CC=CS2

PubChem CID 18525806
CAS 879896-47-6
Molecular Weight (g/mol) 194.252
MDL Number MFCD08435882
SMILES CN1C(=CC(=N1)CO)C2=CC=CS2
Synonym 1-methyl-5-thien-2-yl-1h-pyrazol-3-yl methanol,1h-pyrazole-3-methanol,1-methyl-5-2-thienyl,1-methyl-5-thiophen-2-yl pyrazol-3-yl methanol,1-methyl-5-thiophen-2-yl-1h-pyrazol-3-yl methanol,1-methyl-5-2-thienyl pyrazol-3-yl methan-1-ol,3-hydroxymethyl-1-methyl-5-2-thienyl-1h-pyrazole
IUPAC Name (1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanol
InChI Key HJYKWWXWCFOUID-UHFFFAOYSA-N
Molecular Formula C9H10N2OS
77
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4-Amino-1H-pyrazole, 95%

CAS: 28466-26-4 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.094 MDL Number: MFCD01693729 InChI Key: AXINVSXSGNSVLV-UHFFFAOYSA-N Synonym: 4-aminopyrazole,4-amino-1h-pyrazole,1h-pyrazol-4-ylamine,9ci,pyrazole, 4-amino,1h-pyrazole-4-amine,pyrazole-4-ylamine,4-nh2-pyrazole,1-h-pyrazol-4-amine,pubchem14988 PubChem CID: 78035 IUPAC Name: 1H-pyrazol-4-amine SMILES: C1=C(C=NN1)N

PubChem CID 78035
CAS 28466-26-4
Molecular Weight (g/mol) 83.094
MDL Number MFCD01693729
SMILES C1=C(C=NN1)N
Synonym 4-aminopyrazole,4-amino-1h-pyrazole,1h-pyrazol-4-ylamine,9ci,pyrazole, 4-amino,1h-pyrazole-4-amine,pyrazole-4-ylamine,4-nh2-pyrazole,1-h-pyrazol-4-amine,pubchem14988
IUPAC Name 1H-pyrazol-4-amine
InChI Key AXINVSXSGNSVLV-UHFFFAOYSA-N
Molecular Formula C3H5N3
78
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3,5-Dichloro-1H-indazole, 95%, Thermo Scientific Chemicals

CAS: 36760-20-0 Molecular Formula: C7H4Cl2N2 Molecular Weight (g/mol): 187.023 MDL Number: MFCD09263200 InChI Key: QQZISIWJMCCCNH-UHFFFAOYSA-N Synonym: 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole PubChem CID: 268460 IUPAC Name: 3,5-dichloro-2H-indazole SMILES: C1=CC2=NNC(=C2C=C1Cl)Cl

PubChem CID 268460
CAS 36760-20-0
Molecular Weight (g/mol) 187.023
MDL Number MFCD09263200
SMILES C1=CC2=NNC(=C2C=C1Cl)Cl
Synonym 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole
IUPAC Name 3,5-dichloro-2H-indazole
InChI Key QQZISIWJMCCCNH-UHFFFAOYSA-N
Molecular Formula C7H4Cl2N2
79

5-(2-Bromophenyl)-1,3-oxazole, ≥97%, Thermo Scientific™

CAS: 328270-70-8 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD05668985 InChI Key: JLTHLCLAPCIKJJ-UHFFFAOYSA-N Synonym: 5-2-bromophenyl oxazole,5-2-bromophenyl-1,3-oxazole,oxazole,5-2-bromophenyl PubChem CID: 3780551 IUPAC Name: 5-(2-bromophenyl)-1,3-oxazole SMILES: C1=CC=C(C(=C1)C2=CN=CO2)Br

PubChem CID 3780551
CAS 328270-70-8
Molecular Weight (g/mol) 224.057
MDL Number MFCD05668985
SMILES C1=CC=C(C(=C1)C2=CN=CO2)Br
Synonym 5-2-bromophenyl oxazole,5-2-bromophenyl-1,3-oxazole,oxazole,5-2-bromophenyl
IUPAC Name 5-(2-bromophenyl)-1,3-oxazole
InChI Key JLTHLCLAPCIKJJ-UHFFFAOYSA-N
Molecular Formula C9H6BrNO
80

5-(4-Ethynylphenyl)-1,3-oxazole, 97%, Thermo Scientific™

CAS: 501944-63-4 Molecular Formula: C11H7NO Molecular Weight (g/mol): 169.183 MDL Number: MFCD08435847 InChI Key: CYRYZDZQFDRTHD-UHFFFAOYSA-N Synonym: 5-4-ethynylphenyl-1,3-oxazole,5-4-ethynylphenyl oxazole,oxazole,5-4-ethynylphenyl,4-1,3-oxazol-5-yl phenylacetylene PubChem CID: 18525707 IUPAC Name: 5-(4-ethynylphenyl)-1,3-oxazole SMILES: C#CC1=CC=C(C=C1)C2=CN=CO2

PubChem CID 18525707
CAS 501944-63-4
Molecular Weight (g/mol) 169.183
MDL Number MFCD08435847
SMILES C#CC1=CC=C(C=C1)C2=CN=CO2
Synonym 5-4-ethynylphenyl-1,3-oxazole,5-4-ethynylphenyl oxazole,oxazole,5-4-ethynylphenyl,4-1,3-oxazol-5-yl phenylacetylene
IUPAC Name 5-(4-ethynylphenyl)-1,3-oxazole
InChI Key CYRYZDZQFDRTHD-UHFFFAOYSA-N
Molecular Formula C11H7NO
81

(5-Phenyl-1,3-oxazol-4-yl)methanol, ≥95%, Thermo Scientific™

CAS: 352018-88-3 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD03086105 InChI Key: LVHWTAMRDRDXJP-UHFFFAOYSA-N Synonym: 5-phenyloxazol-4-yl methanol,5-phenyl-1,3-oxazol-4-yl methanol,5-phenyl-1,3-oxazole-4-methanol,4-oxazolemethanol,5-phenyl,5-phenyl-4-oxazolyl methanol,5-phenyl-oxazol-4-yl-methanol,5-phenyl-1,3-oxazol-4-yl methan-1-ol PubChem CID: 2776302 IUPAC Name: (5-phenyl-1,3-oxazol-4-yl)methanol SMILES: C1=CC=C(C=C1)C2=C(N=CO2)CO

PubChem CID 2776302
CAS 352018-88-3
Molecular Weight (g/mol) 175.187
MDL Number MFCD03086105
SMILES C1=CC=C(C=C1)C2=C(N=CO2)CO
Synonym 5-phenyloxazol-4-yl methanol,5-phenyl-1,3-oxazol-4-yl methanol,5-phenyl-1,3-oxazole-4-methanol,4-oxazolemethanol,5-phenyl,5-phenyl-4-oxazolyl methanol,5-phenyl-oxazol-4-yl-methanol,5-phenyl-1,3-oxazol-4-yl methan-1-ol
IUPAC Name (5-phenyl-1,3-oxazol-4-yl)methanol
InChI Key LVHWTAMRDRDXJP-UHFFFAOYSA-N
Molecular Formula C10H9NO2
82

2,5-Dimethyl-1,3-oxazole-4-carbonyl chloride, 97%, Thermo Scientific™

CAS: 197719-27-0 Molecular Formula: C6H6ClNO2 Molecular Weight (g/mol): 159.57 MDL Number: MFCD04972642 InChI Key: XZXCVPKMCPXVFF-UHFFFAOYSA-N PubChem CID: 7018020 SMILES: CC1=NC(C(Cl)=O)=C(C)O1

PubChem CID 7018020
CAS 197719-27-0
Molecular Weight (g/mol) 159.57
MDL Number MFCD04972642
SMILES CC1=NC(C(Cl)=O)=C(C)O1
InChI Key XZXCVPKMCPXVFF-UHFFFAOYSA-N
Molecular Formula C6H6ClNO2
83

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid, 97%, Thermo Scientific™

CAS: 107367-98-6 Molecular Formula: C12H11NO3 Molecular Weight (g/mol): 217.224 MDL Number: MFCD00100005 InChI Key: XEWJNPORMBGGKZ-UHFFFAOYSA-N Synonym: 2-5-methyl-2-phenyl-1,3-oxazol-4-yl acetic acid,5-methyl-2-phenyl-1,3-oxazol-4-yl acetic acid,2-5-methyl-2-phenyloxazol-4-yl acetic acid,5-methyl-2-phenyloxazol-4-yl acetic acid,maybridge1_002118,acmc-2098vv,2-phenyl-5-methyl-4-oxazolyiacetic acid,2-phenyl-5-methyl-4-oxazolylacetic acid,2-phenyl-5-methyloxazol-4-ylacetic acid,5-methyl-2-phenyl-1,3-oxazolyl acetic acid PubChem CID: 2775139 IUPAC Name: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)O

PubChem CID 2775139
CAS 107367-98-6
Molecular Weight (g/mol) 217.224
MDL Number MFCD00100005
SMILES CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)O
Synonym 2-5-methyl-2-phenyl-1,3-oxazol-4-yl acetic acid,5-methyl-2-phenyl-1,3-oxazol-4-yl acetic acid,2-5-methyl-2-phenyloxazol-4-yl acetic acid,5-methyl-2-phenyloxazol-4-yl acetic acid,maybridge1_002118,acmc-2098vv,2-phenyl-5-methyl-4-oxazolyiacetic acid,2-phenyl-5-methyl-4-oxazolylacetic acid,2-phenyl-5-methyloxazol-4-ylacetic acid,5-methyl-2-phenyl-1,3-oxazolyl acetic acid
IUPAC Name 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
InChI Key XEWJNPORMBGGKZ-UHFFFAOYSA-N
Molecular Formula C12H11NO3
84

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 18735-74-5 Molecular Formula: C11H8NO3 Molecular Weight (g/mol): 202.19 MDL Number: MFCD00275475 InChI Key: YABCPNYCFFUVNM-UHFFFAOYSA-M Synonym: 5-methyl-2-phenyloxazole-4-carboxylic acid,2-phenyl-5-methyloxazole-4-carboxylic acid,5-methyl-2-phenyl-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 5-methyl-2-phenyl,5-methyl-2-phenyloxazole-4-carboxylicacid,4-carboxy-5-methyl-2-phenyl-1,3-oxazole,4-oxazolecarboxylicacid,5-methyl-2-phenyl,2-phenyl-5-methyl-oxazole-4-carboxylic acid,4-oxazolecarboxylicacid, 5-methyl-2-phenyl,5-methyl-2-phenyloxazol-4-ylcarboxylic acid PubChem CID: 318533 IUPAC Name: 5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid SMILES: CC1=C(N=C(O1)C1=CC=CC=C1)C([O-])=O

PubChem CID 318533
CAS 18735-74-5
Molecular Weight (g/mol) 202.19
MDL Number MFCD00275475
SMILES CC1=C(N=C(O1)C1=CC=CC=C1)C([O-])=O
Synonym 5-methyl-2-phenyloxazole-4-carboxylic acid,2-phenyl-5-methyloxazole-4-carboxylic acid,5-methyl-2-phenyl-oxazole-4-carboxylic acid,4-oxazolecarboxylic acid, 5-methyl-2-phenyl,5-methyl-2-phenyloxazole-4-carboxylicacid,4-carboxy-5-methyl-2-phenyl-1,3-oxazole,4-oxazolecarboxylicacid,5-methyl-2-phenyl,2-phenyl-5-methyl-oxazole-4-carboxylic acid,4-oxazolecarboxylicacid, 5-methyl-2-phenyl,5-methyl-2-phenyloxazol-4-ylcarboxylic acid
IUPAC Name 5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
InChI Key YABCPNYCFFUVNM-UHFFFAOYSA-M
Molecular Formula C11H8NO3
85
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3-Indazolinone, 97%

CAS: 7364-25-2 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.138 MDL Number: MFCD00005685 InChI Key: SWEICGMKXPNXNU-UHFFFAOYSA-N Synonym: 1h-indazol-3-ol,3-indazolinone,indazolinone,1h-indazol-3 2h-one,3-hydroxy-1h-indazole,3-hydroxyindazole,1,2-dihydro-3h-indazol-3-one,3-oxo-1,2-indazole,3h-indazol-3-one, 1,2-dihydro,2h-indazol-3-ol PubChem CID: 81829 IUPAC Name: 1,2-dihydroindazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NN2

PubChem CID 81829
CAS 7364-25-2
Molecular Weight (g/mol) 134.138
MDL Number MFCD00005685
SMILES C1=CC=C2C(=C1)C(=O)NN2
Synonym 1h-indazol-3-ol,3-indazolinone,indazolinone,1h-indazol-3 2h-one,3-hydroxy-1h-indazole,3-hydroxyindazole,1,2-dihydro-3h-indazol-3-one,3-oxo-1,2-indazole,3h-indazol-3-one, 1,2-dihydro,2h-indazol-3-ol
IUPAC Name 1,2-dihydroindazol-3-one
InChI Key SWEICGMKXPNXNU-UHFFFAOYSA-N
Molecular Formula C7H6N2O
86
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1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole, 97%

CAS: 36140-83-7 Molecular Formula: C8H9N3O Molecular Weight (g/mol): 163.18 MDL Number: MFCD00051954 InChI Key: DDWZYWSLHBDVGR-UHFFFAOYSA-N Synonym: 1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo PubChem CID: 262101 IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile SMILES: CC1=CC(=NN1C(=O)CC#N)C

PubChem CID 262101
CAS 36140-83-7
Molecular Weight (g/mol) 163.18
MDL Number MFCD00051954
SMILES CC1=CC(=NN1C(=O)CC#N)C
Synonym 1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo
IUPAC Name 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile
InChI Key DDWZYWSLHBDVGR-UHFFFAOYSA-N
Molecular Formula C8H9N3O
87
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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
88
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Ethyl 4-methyloxazole-5-carboxylate, 97+%

CAS: 20485-39-6 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00062573 InChI Key: XNMORZSEENWFLI-UHFFFAOYSA-N PubChem CID: 88558 IUPAC Name: ethyl 4-methyl-1,3-oxazole-5-carboxylate SMILES: CCOC(=O)C1=C(C)N=CO1

PubChem CID 88558
CAS 20485-39-6
Molecular Weight (g/mol) 155.15
MDL Number MFCD00062573
SMILES CCOC(=O)C1=C(C)N=CO1
IUPAC Name ethyl 4-methyl-1,3-oxazole-5-carboxylate
InChI Key XNMORZSEENWFLI-UHFFFAOYSA-N
Molecular Formula C7H9NO3
89
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1,2,3-Thiadiazole-4-carboxylic acid, 97%

CAS: 4100-13-4 Molecular Formula: C3H2N2O2S Molecular Weight (g/mol): 130.121 MDL Number: MFCD00052099 InChI Key: HJZYBDPHAHGHAZ-UHFFFAOYSA-N Synonym: 1,2,3-thiadiazole-4-carboxylic acid,1,2,3 thiadiazole-4-carboxylic acid,thiadiazolecarboxylicacid,4-carboxy-1,2,3-thiadiazole,1,2,3-thiadiazole4-carboxylic acid,1 pound not2 pound not3 thiadiazole-4-carboxylicacid PubChem CID: 351418 IUPAC Name: thiadiazole-4-carboxylic acid SMILES: C1=C(N=NS1)C(=O)O

PubChem CID 351418
CAS 4100-13-4
Molecular Weight (g/mol) 130.121
MDL Number MFCD00052099
SMILES C1=C(N=NS1)C(=O)O
Synonym 1,2,3-thiadiazole-4-carboxylic acid,1,2,3 thiadiazole-4-carboxylic acid,thiadiazolecarboxylicacid,4-carboxy-1,2,3-thiadiazole,1,2,3-thiadiazole4-carboxylic acid,1 pound not2 pound not3 thiadiazole-4-carboxylicacid
IUPAC Name thiadiazole-4-carboxylic acid
InChI Key HJZYBDPHAHGHAZ-UHFFFAOYSA-N
Molecular Formula C3H2N2O2S
90

2-(1,3-Oxazol-5-yl)aniline, ≥97%, Thermo Scientific™

CAS: 774238-36-7 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.176 MDL Number: MFCD07772822 InChI Key: UZPQWOKKMYUKNI-UHFFFAOYSA-N PubChem CID: 7162068 IUPAC Name: 2-(1,3-oxazol-5-yl)aniline SMILES: C1=CC=C(C(=C1)C2=CN=CO2)N

PubChem CID 7162068
CAS 774238-36-7
Molecular Weight (g/mol) 160.176
MDL Number MFCD07772822
SMILES C1=CC=C(C(=C1)C2=CN=CO2)N
IUPAC Name 2-(1,3-oxazol-5-yl)aniline
InChI Key UZPQWOKKMYUKNI-UHFFFAOYSA-N
Molecular Formula C9H8N2O