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

C16H14N2O — CID 867102

IUPAC5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)15-17-16(19-18-15)14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyGNSCVZNDOFTPRT-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.02
Rot. Bonds2

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

5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 867102) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID867102
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)15-17-16(19-18-15)14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyGNSCVZNDOFTPRT-UHFFFAOYSA-N
XLogP4.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylphenyl)-3-(4-methylphenyl)-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-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
5-(2-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035901
3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 59556605
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173292
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
4-[5-(2-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 80717873
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 63654204
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 867102) is 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccccc3C)n2)cc1.
What is the InChIKey of 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is GNSCVZNDOFTPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)15-17-16(19-18-15)14-6-4-3-5-12(14)2/h3-10H,1-2H3.
What are the key properties of 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 867102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).