4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid

C11H7FN2O4 — CID 28779104

IUPAC4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1ccno1
InChIInChI=1S/C11H7FN2O4/c12-6-1-2-7(11(16)17)8(5-6)14-10(15)9-3-4-13-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyUIVOQDXMBABKEF-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.76
Rot. Bonds3

About 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid

4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid (PubChem CID 28779104) has the molecular formula C11H7FN2O4 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid
PubChem CID28779104
Molecular FormulaC11H7FN2O4
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1ccno1
InChIInChI=1S/C11H7FN2O4/c12-6-1-2-7(11(16)17)8(5-6)14-10(15)9-3-4-13-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyUIVOQDXMBABKEF-UHFFFAOYSA-N
XLogP1.76
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 63189912
4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030924
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
dimethyl 2-(1,2-oxazole-5-carbonylamino)benzene-1,4-dicarboxylate
CID 110693692
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-fluoro-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]benzoic acid
CID 43358560
5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid
CID 60845787
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
4-fluoro-2-(thiophene-3-carbonylamino)benzoic acid
CID 16788115
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid?
The IUPAC name of 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid (CID 28779104) is 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid is O=C(Nc1cc(F)ccc1C(=O)O)c1ccno1.
What is the InChIKey of 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid?
The InChIKey is UIVOQDXMBABKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O4/c12-6-1-2-7(11(16)17)8(5-6)14-10(15)9-3-4-13-18-9/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid?
4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid has a molecular weight of 250.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 28779104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).