2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one

C9H8N2O2 — CID 10725945

IUPAC2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
SMILESCn1oc(-c2cccnc2)cc1=O
InChIInChI=1S/C9H8N2O2/c1-11-9(12)5-8(13-11)7-3-2-4-10-6-7/h2-6H,1H3
InChIKeyKIFRLEUHOMEQSH-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.04
Rot. Bonds1

About 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one

2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one (PubChem CID 10725945) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
PubChem CID10725945
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
SMILESCn1oc(-c2cccnc2)cc1=O
InChIInChI=1S/C9H8N2O2/c1-11-9(12)5-8(13-11)7-3-2-4-10-6-7/h2-6H,1H3
InChIKeyKIFRLEUHOMEQSH-UHFFFAOYSA-N
XLogP1.04
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one 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 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one?
The IUPAC name of 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one (CID 10725945) is 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one.
What is the SMILES notation for 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one?
The canonical SMILES for 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one is Cn1oc(-c2cccnc2)cc1=O.
What is the InChIKey of 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one?
The InChIKey is KIFRLEUHOMEQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-9(12)5-8(13-11)7-3-2-4-10-6-7/h2-6H,1H3.
What are the key properties of 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one?
2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one has a molecular weight of 176.17 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one is sourced from PubChem (CID 10725945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).