4-methyl-5-phenyloxadiazole

C9H8N2O — CID 54496917

IUPAC4-methyl-5-phenyloxadiazole
SMILESCc1nnoc1-c1ccccc1
InChIInChI=1S/C9H8N2O/c1-7-9(12-11-10-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyXZTLBZJHNSFVQU-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.05
Rot. Bonds1

About 4-methyl-5-phenyloxadiazole

4-methyl-5-phenyloxadiazole (PubChem CID 54496917) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-methyl-5-phenyloxadiazole.

Molecular Properties

Compound Name4-methyl-5-phenyloxadiazole
PubChem CID54496917
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-methyl-5-phenyloxadiazole
SMILESCc1nnoc1-c1ccccc1
InChIInChI=1S/C9H8N2O/c1-7-9(12-11-10-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyXZTLBZJHNSFVQU-UHFFFAOYSA-N
XLogP2.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-phenyloxadiazole 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-methyl-5-phenyloxadiazole?
The IUPAC name of 4-methyl-5-phenyloxadiazole (CID 54496917) is 4-methyl-5-phenyloxadiazole.
What is the SMILES notation for 4-methyl-5-phenyloxadiazole?
The canonical SMILES for 4-methyl-5-phenyloxadiazole is Cc1nnoc1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyloxadiazole?
The InChIKey is XZTLBZJHNSFVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-9(12-11-10-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-methyl-5-phenyloxadiazole?
4-methyl-5-phenyloxadiazole has a molecular weight of 160.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyloxadiazole is sourced from PubChem (CID 54496917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).