3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole

C15H12N2O — CID 2239223

IUPAC3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H12N2O/c1-11-6-5-9-13(10-11)14-16-15(18-17-14)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyLVOLWXPQHWLZBL-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.71
Rot. Bonds2

About 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole

3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 2239223) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
PubChem CID2239223
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H12N2O/c1-11-6-5-9-13(10-11)14-16-15(18-17-14)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyLVOLWXPQHWLZBL-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 134593682
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)aniline
CID 86257239
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908045
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53007308

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole (CID 2239223) is 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is LVOLWXPQHWLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-6-5-9-13(10-11)14-16-15(18-17-14)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2239223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).