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

C7H5N3O2 — CID 135456618

IUPAC3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2cccnc2)no1
InChIInChI=1S/C7H5N3O2/c11-7-9-6(10-12-7)5-2-1-3-8-4-5/h1-4H,(H,9,10,11)
InChIKeyXSSFIDOWUWMEBD-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.42
Rot. Bonds1

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

3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one (PubChem CID 135456618) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one
PubChem CID135456618
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2cccnc2)no1
InChIInChI=1S/C7H5N3O2/c11-7-9-6(10-12-7)5-2-1-3-8-4-5/h1-4H,(H,9,10,11)
InChIKeyXSSFIDOWUWMEBD-UHFFFAOYSA-N
XLogP0.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-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 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one (CID 135456618) is 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2cccnc2)no1.
What is the InChIKey of 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XSSFIDOWUWMEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7-9-6(10-12-7)5-2-1-3-8-4-5/h1-4H,(H,9,10,11).
What are the key properties of 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one?
3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 163.14 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135456618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).