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

C11H7FN2O4 — CID 63189912

IUPAC3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccno2)c(F)c1
InChIInChI=1S/C11H7FN2O4/c12-7-5-6(11(16)17)1-2-8(7)14-10(15)9-3-4-13-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyBDSJRARRUKLVLQ-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.76
Rot. Bonds3

About 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid

3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid (PubChem CID 63189912) has the molecular formula C11H7FN2O4 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
PubChem CID63189912
Molecular FormulaC11H7FN2O4
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccno2)c(F)c1
InChIInChI=1S/C11H7FN2O4/c12-7-5-6(11(16)17)1-2-8(7)14-10(15)9-3-4-13-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyBDSJRARRUKLVLQ-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

5-(1,2-oxazole-5-carbonylamino)benzene-1,3-dicarboxylic acid
CID 60845787
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 28779104
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1,2-oxazole-5-carboxamide
CID 60804103
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 63189731
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid?
The IUPAC name of 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid (CID 63189912) is 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)c2ccno2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid?
The InChIKey is BDSJRARRUKLVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O4/c12-7-5-6(11(16)17)1-2-8(7)14-10(15)9-3-4-13-18-9/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid?
3-fluoro-4-(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 3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 63189912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).