1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone

C8H6N2O2 — CID 71435116

IUPAC1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1onc2ncccc12
InChIInChI=1S/C8H6N2O2/c1-5(11)7-6-3-2-4-9-8(6)10-12-7/h2-4H,1H3
InChIKeyXJZXUEHHFQFNRC-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.43
Rot. Bonds1

About 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone

1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone (PubChem CID 71435116) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone
PubChem CID71435116
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1onc2ncccc12
InChIInChI=1S/C8H6N2O2/c1-5(11)7-6-3-2-4-9-8(6)10-12-7/h2-4H,1H3
InChIKeyXJZXUEHHFQFNRC-UHFFFAOYSA-N
XLogP1.43
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone 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 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone (CID 71435116) is 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone is CC(=O)c1onc2ncccc12.
What is the InChIKey of 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone?
The InChIKey is XJZXUEHHFQFNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5(11)7-6-3-2-4-9-8(6)10-12-7/h2-4H,1H3.
What are the key properties of 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone?
1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone has a molecular weight of 162.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 71435116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).