2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole

C15H16N2O — CID 130252561

IUPAC2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole
SMILESCC1=CC=C(c2nnc(C3=CC=CCC3)o2)CC1
InChIInChI=1S/C15H16N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-3,5,7,9H,4,6,8,10H2,1H3
InChIKeySKCMPZIYUIEXFZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.93
Rot. Bonds2

About 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole

2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole (PubChem CID 130252561) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole
PubChem CID130252561
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole
SMILESCC1=CC=C(c2nnc(C3=CC=CCC3)o2)CC1
InChIInChI=1S/C15H16N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-3,5,7,9H,4,6,8,10H2,1H3
InChIKeySKCMPZIYUIEXFZ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-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-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole (CID 130252561) is 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole is CC1=CC=C(c2nnc(C3=CC=CCC3)o2)CC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole?
The InChIKey is SKCMPZIYUIEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-3,5,7,9H,4,6,8,10H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole?
2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole has a molecular weight of 240.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 130252561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).