4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid

C14H11FN2O4 — CID 103791445

IUPAC4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(C2CC2)on1
InChIInChI=1S/C14H11FN2O4/c15-10-5-8(3-4-9(10)14(19)20)16-13(18)11-6-12(21-17-11)7-1-2-7/h3-7H,1-2H2,(H,16,18)(H,19,20)
InChIKeyPUTZIHGLOMUBQW-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.64
Rot. Bonds4

About 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid

4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid (PubChem CID 103791445) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid
PubChem CID103791445
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(C2CC2)on1
InChIInChI=1S/C14H11FN2O4/c15-10-5-8(3-4-9(10)14(19)20)16-13(18)11-6-12(21-17-11)7-1-2-7/h3-7H,1-2H2,(H,16,18)(H,19,20)
InChIKeyPUTZIHGLOMUBQW-UHFFFAOYSA-N
XLogP2.64
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid with MolForge

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Related Compounds

N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159575423
N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188260
N-[3-benzyl-4-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24668099
N-(3-chloro-4-fluorophenyl)-5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 46948575
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
5-cyclopropyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146323310
N-[3-(2-aminoethylamino)sulfanylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145039805
5-cyclopropyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 31810077
N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188238
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527274
5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122286600
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid (CID 103791445) is 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid is O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(C2CC2)on1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid?
The InChIKey is PUTZIHGLOMUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-10-5-8(3-4-9(10)14(19)20)16-13(18)11-6-12(21-17-11)7-1-2-7/h3-7H,1-2H2,(H,16,18)(H,19,20).
What are the key properties of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid?
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid has a molecular weight of 290.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 103791445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).