2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole

C12H20N2O — CID 71066963

IUPAC2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole
SMILESCCCC1CCC(c2nnc(C)o2)CC1
InChIInChI=1S/C12H20N2O/c1-3-4-10-5-7-11(8-6-10)12-14-13-9(2)15-12/h10-11H,3-8H2,1-2H3
InChIKeyVRLXPBNLGXUKPJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole

2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole (PubChem CID 71066963) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole
PubChem CID71066963
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole
SMILESCCCC1CCC(c2nnc(C)o2)CC1
InChIInChI=1S/C12H20N2O/c1-3-4-10-5-7-11(8-6-10)12-14-13-9(2)15-12/h10-11H,3-8H2,1-2H3
InChIKeyVRLXPBNLGXUKPJ-UHFFFAOYSA-N
XLogP3.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(4-propylcyclohexyl)-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-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole (CID 71066963) is 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole is CCCC1CCC(c2nnc(C)o2)CC1.
What is the InChIKey of 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole?
The InChIKey is VRLXPBNLGXUKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-10-5-7-11(8-6-10)12-14-13-9(2)15-12/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole?
2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole has a molecular weight of 208.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-propylcyclohexyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71066963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).