2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid

C13H8N2O3 — CID 15270665

IUPAC2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C13H8N2O3/c16-13(17)9-6-10-11(14-7-9)15-12(18-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyDRGOGRWZPUVDMK-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.59
Rot. Bonds2

About 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid

2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 15270665) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID15270665
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C13H8N2O3/c16-13(17)9-6-10-11(14-7-9)15-12(18-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyDRGOGRWZPUVDMK-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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid (CID 15270665) is 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is DRGOGRWZPUVDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-13(17)9-6-10-11(14-7-9)15-12(18-10)8-4-2-1-3-5-8/h1-7H,(H,16,17).
What are the key properties of 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid?
2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-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 2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 15270665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).