3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

C13H8N2O3 — CID 16788564

IUPAC3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2onc(-c3ccccc3)c2c1
InChIInChI=1S/C13H8N2O3/c16-13(17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H,(H,16,17)
InChIKeyKHFHCPWZJQDGNG-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.59
Rot. Bonds2

About 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 16788564) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID16788564
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2onc(-c3ccccc3)c2c1
InChIInChI=1S/C13H8N2O3/c16-13(17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H,(H,16,17)
InChIKeyKHFHCPWZJQDGNG-UHFFFAOYSA-N
XLogP2.59
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 16788564) is 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2onc(-c3ccccc3)c2c1.
What is the InChIKey of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is KHFHCPWZJQDGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-13(17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H,(H,16,17).
What are the key properties of 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16788564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).