5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole

C17H19N5O — CID 53170060

IUPAC5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2noc(C3CCCCC3)n2)nnn1-c1ccccc1
InChIInChI=1S/C17H19N5O/c1-12-15(19-21-22(12)14-10-6-3-7-11-14)16-18-17(23-20-16)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3
InChIKeyYRYWYIIRXVQKMC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.67
Rot. Bonds3

About 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole

5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 53170060) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID53170060
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2noc(C3CCCCC3)n2)nnn1-c1ccccc1
InChIInChI=1S/C17H19N5O/c1-12-15(19-21-22(12)14-10-6-3-7-11-14)16-18-17(23-20-16)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3
InChIKeyYRYWYIIRXVQKMC-UHFFFAOYSA-N
XLogP3.67
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-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 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole (CID 53170060) is 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole is Cc1c(-c2noc(C3CCCCC3)n2)nnn1-c1ccccc1.
What is the InChIKey of 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is YRYWYIIRXVQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-15(19-21-22(12)14-10-6-3-7-11-14)16-18-17(23-20-16)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3.
What are the key properties of 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53170060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).