5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid

C15H9FN2O4S — CID 142773903

IUPAC5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2ccsc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O4S/c16-10-3-1-8(2-4-10)13(19)17-14-11(15(20)21)12(18-22-14)9-5-6-23-7-9/h1-7H,(H,17,19)(H,20,21)
InChIKeyIULFJPXTSGSLEI-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.49
Rot. Bonds4

About 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid

5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142773903) has the molecular formula C15H9FN2O4S and a molecular weight of 332.31 g/mol. Its IUPAC name is 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142773903
Molecular FormulaC15H9FN2O4S
Molecular Weight332.31 g/mol
Exact Mass332.03
IUPAC Name5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2ccsc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O4S/c16-10-3-1-8(2-4-10)13(19)17-14-11(15(20)21)12(18-22-14)9-5-6-23-7-9/h1-7H,(H,17,19)(H,20,21)
InChIKeyIULFJPXTSGSLEI-UHFFFAOYSA-N
XLogP3.49
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773844
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953
5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 91811880
5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142774008
5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773841
3-fluoro-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143326
3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134154346
3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42687284
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
2-[(4-fluorobenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
CID 829695
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
4-fluoro-2-(thiophene-3-carbonylamino)benzoic acid
CID 16788115

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid (CID 142773903) is 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid is O=C(Nc1onc(-c2ccsc2)c1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is IULFJPXTSGSLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O4S/c16-10-3-1-8(2-4-10)13(19)17-14-11(15(20)21)12(18-22-14)9-5-6-23-7-9/h1-7H,(H,17,19)(H,20,21).
What are the key properties of 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid?
5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 332.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).