2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole

C15H16N2O — CID 3613626

IUPAC2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole
SMILESCC1=CCC(c2nnco2)C(c2ccccc2)C1
InChIInChI=1S/C15H16N2O/c1-11-7-8-13(15-17-16-10-18-15)14(9-11)12-5-3-2-4-6-12/h2-7,10,13-14H,8-9H2,1H3
InChIKeyVIKNDKYETVCODL-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole

2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole (PubChem CID 3613626) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole
PubChem CID3613626
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole
SMILESCC1=CCC(c2nnco2)C(c2ccccc2)C1
InChIInChI=1S/C15H16N2O/c1-11-7-8-13(15-17-16-10-18-15)14(9-11)12-5-3-2-4-6-12/h2-7,10,13-14H,8-9H2,1H3
InChIKeyVIKNDKYETVCODL-UHFFFAOYSA-N
XLogP3.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole (CID 3613626) is 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole is CC1=CCC(c2nnco2)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole?
The InChIKey is VIKNDKYETVCODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-7-8-13(15-17-16-10-18-15)14(9-11)12-5-3-2-4-6-12/h2-7,10,13-14H,8-9H2,1H3.
What are the key properties of 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole?
2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole has a molecular weight of 240.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenylcyclohex-3-en-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 3613626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).