5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide

C13H8FN3O2S — CID 16950267

IUPAC5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1nccs1)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H8FN3O2S/c14-9-3-1-8(2-4-9)10-7-16-12(19-10)11(18)17-13-15-5-6-20-13/h1-7H,(H,15,17,18)
InChIKeyPVZSFSYDSWSJMH-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.19
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide

5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide (PubChem CID 16950267) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
PubChem CID16950267
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Name5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1nccs1)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H8FN3O2S/c14-9-3-1-8(2-4-9)10-7-16-12(19-10)11(18)17-13-15-5-6-20-13/h1-7H,(H,15,17,18)
InChIKeyPVZSFSYDSWSJMH-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 35998393
5-(4-fluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 18695170
3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 17015017
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3593088
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide (CID 16950267) is 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide is O=C(Nc1nccs1)c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is PVZSFSYDSWSJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c14-9-3-1-8(2-4-9)10-7-16-12(19-10)11(18)17-13-15-5-6-20-13/h1-7H,(H,15,17,18).
What are the key properties of 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16950267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).