3,4-diphenyl-1,2,4-oxadiazol-5-one

C14H10N2O2 — CID 13043242

IUPAC3,4-diphenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-14-16(12-9-5-2-6-10-12)13(15-18-14)11-7-3-1-4-8-11/h1-10H
InChIKeyYOWASPMXEXKPDM-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.49
Rot. Bonds2

About 3,4-diphenyl-1,2,4-oxadiazol-5-one

3,4-diphenyl-1,2,4-oxadiazol-5-one (PubChem CID 13043242) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,4-diphenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3,4-diphenyl-1,2,4-oxadiazol-5-one
PubChem CID13043242
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3,4-diphenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-14-16(12-9-5-2-6-10-12)13(15-18-14)11-7-3-1-4-8-11/h1-10H
InChIKeyYOWASPMXEXKPDM-UHFFFAOYSA-N
XLogP2.49
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-diphenyl-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 3,4-diphenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3,4-diphenyl-1,2,4-oxadiazol-5-one (CID 13043242) is 3,4-diphenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3,4-diphenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3,4-diphenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 3,4-diphenyl-1,2,4-oxadiazol-5-one?
The InChIKey is YOWASPMXEXKPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-16(12-9-5-2-6-10-12)13(15-18-14)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 3,4-diphenyl-1,2,4-oxadiazol-5-one?
3,4-diphenyl-1,2,4-oxadiazol-5-one has a molecular weight of 238.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 13043242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).