5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole

C27H41N3O — CID 59657774

IUPAC5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole
SMILESCCC(CC)N1CCC(CCCc2noc(-c3ccc(C4CCCCC4)cc3)n2)CC1
InChIInChI=1S/C27H41N3O/c1-3-25(4-2)30-19-17-21(18-20-30)9-8-12-26-28-27(31-29-26)24-15-13-23(14-16-24)22-10-6-5-7-11-22/h13-16,21-22,25H,3-12,17-20H2,1-2H3
InChIKeyJLVZSQQLXKKSTB-UHFFFAOYSA-N
MW423.65 g/mol
LogP7.01
Rot. Bonds9

About 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole

5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole (PubChem CID 59657774) has the molecular formula C27H41N3O and a molecular weight of 423.65 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole
PubChem CID59657774
Molecular FormulaC27H41N3O
Molecular Weight423.65 g/mol
Exact Mass423.32
IUPAC Name5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole
SMILESCCC(CC)N1CCC(CCCc2noc(-c3ccc(C4CCCCC4)cc3)n2)CC1
InChIInChI=1S/C27H41N3O/c1-3-25(4-2)30-19-17-21(18-20-30)9-8-12-26-28-27(31-29-26)24-15-13-23(14-16-24)22-10-6-5-7-11-22/h13-16,21-22,25H,3-12,17-20H2,1-2H3
InChIKeyJLVZSQQLXKKSTB-UHFFFAOYSA-N
XLogP7.01
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-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-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole (CID 59657774) is 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole is CCC(CC)N1CCC(CCCc2noc(-c3ccc(C4CCCCC4)cc3)n2)CC1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole?
The InChIKey is JLVZSQQLXKKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O/c1-3-25(4-2)30-19-17-21(18-20-30)9-8-12-26-28-27(31-29-26)24-15-13-23(14-16-24)22-10-6-5-7-11-22/h13-16,21-22,25H,3-12,17-20H2,1-2H3.
What are the key properties of 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole?
5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole has a molecular weight of 423.65 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3-[3-(1-pentan-3-ylpiperidin-4-yl)propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59657774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).