4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid

C14H6FN3O4 — CID 123174719

IUPAC4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
SMILESN#Cc1nc(C(=O)O)c(O)c2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H6FN3O4/c15-7-3-1-6(2-4-7)10-9-8(5-16)17-11(14(20)21)12(19)13(9)22-18-10/h1-4,19H,(H,20,21)
InChIKeyFZLYPXJSJCFLLK-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.30
Rot. Bonds2

About 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid

4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 123174719) has the molecular formula C14H6FN3O4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
PubChem CID123174719
Molecular FormulaC14H6FN3O4
Molecular Weight299.22 g/mol
Exact Mass299.03
IUPAC Name4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
SMILESN#Cc1nc(C(=O)O)c(O)c2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H6FN3O4/c15-7-3-1-6(2-4-7)10-9-8(5-16)17-11(14(20)21)12(19)13(9)22-18-10/h1-4,19H,(H,20,21)
InChIKeyFZLYPXJSJCFLLK-UHFFFAOYSA-N
XLogP2.30
TPSA120.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
CID 42635757
2-acetyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 90337835
ethyl 4-bromo-7-hydroxy-3-phenyl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylate
CID 86648121
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387
4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105498756
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
CID 154721844
2-[(4-hydroxy-3,7-diphenyl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
CID 135879571
3-fluoro-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313905
6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313893
6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 174974077

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid (CID 123174719) is 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid is N#Cc1nc(C(=O)O)c(O)c2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is FZLYPXJSJCFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6FN3O4/c15-7-3-1-6(2-4-7)10-9-8(5-16)17-11(14(20)21)12(19)13(9)22-18-10/h1-4,19H,(H,20,21).
What are the key properties of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 299.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 123174719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).