5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one

C8H7N3O2 — CID 20767667

IUPAC5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one
SMILESCc1nc(=O)n(-c2ccccn2)o1
InChIInChI=1S/C8H7N3O2/c1-6-10-8(12)11(13-6)7-4-2-3-5-9-7/h2-5H,1H3
InChIKeyKNGMIWHFDIWGFU-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.53
Rot. Bonds1

About 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one

5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one (PubChem CID 20767667) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one.

Molecular Properties

Compound Name5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one
PubChem CID20767667
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one
SMILESCc1nc(=O)n(-c2ccccn2)o1
InChIInChI=1S/C8H7N3O2/c1-6-10-8(12)11(13-6)7-4-2-3-5-9-7/h2-5H,1H3
InChIKeyKNGMIWHFDIWGFU-UHFFFAOYSA-N
XLogP0.53
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-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 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one?
The IUPAC name of 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one (CID 20767667) is 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one.
What is the SMILES notation for 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one?
The canonical SMILES for 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one is Cc1nc(=O)n(-c2ccccn2)o1.
What is the InChIKey of 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one?
The InChIKey is KNGMIWHFDIWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-6-10-8(12)11(13-6)7-4-2-3-5-9-7/h2-5H,1H3.
What are the key properties of 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one?
5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one has a molecular weight of 177.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-2-yl-1,2,4-oxadiazol-3-one is sourced from PubChem (CID 20767667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).