4,5-bis(3-methylphenyl)oxadiazole

C16H14N2O — CID 21443594

IUPAC4,5-bis(3-methylphenyl)oxadiazole
SMILESCc1cccc(-c2nnoc2-c2cccc(C)c2)c1
InChIInChI=1S/C16H14N2O/c1-11-5-3-7-13(9-11)15-16(19-18-17-15)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyGHDZUDATKUDMDP-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.02
Rot. Bonds2

About 4,5-bis(3-methylphenyl)oxadiazole

4,5-bis(3-methylphenyl)oxadiazole (PubChem CID 21443594) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4,5-bis(3-methylphenyl)oxadiazole.

Molecular Properties

Compound Name4,5-bis(3-methylphenyl)oxadiazole
PubChem CID21443594
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4,5-bis(3-methylphenyl)oxadiazole
SMILESCc1cccc(-c2nnoc2-c2cccc(C)c2)c1
InChIInChI=1S/C16H14N2O/c1-11-5-3-7-13(9-11)15-16(19-18-17-15)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyGHDZUDATKUDMDP-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 4,5-bis(3-methylphenyl)oxadiazole 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 4,5-bis(3-methylphenyl)oxadiazole?
The IUPAC name of 4,5-bis(3-methylphenyl)oxadiazole (CID 21443594) is 4,5-bis(3-methylphenyl)oxadiazole.
What is the SMILES notation for 4,5-bis(3-methylphenyl)oxadiazole?
The canonical SMILES for 4,5-bis(3-methylphenyl)oxadiazole is Cc1cccc(-c2nnoc2-c2cccc(C)c2)c1.
What is the InChIKey of 4,5-bis(3-methylphenyl)oxadiazole?
The InChIKey is GHDZUDATKUDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-5-3-7-13(9-11)15-16(19-18-17-15)14-8-4-6-12(2)10-14/h3-10H,1-2H3.
What are the key properties of 4,5-bis(3-methylphenyl)oxadiazole?
4,5-bis(3-methylphenyl)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 4,5-bis(3-methylphenyl)oxadiazole is sourced from PubChem (CID 21443594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).