N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide

C22H30N4O2 — CID 50827955

IUPACN-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)CC1
InChIInChI=1S/C22H30N4O2/c1-15-3-7-18(8-4-15)23-21(27)22-24-20(25-28-22)17-5-9-19(10-6-17)26-13-11-16(2)12-14-26/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3,(H,23,27)
InChIKeyGJCRZAOJPKXCKG-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.28
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide

N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50827955) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50827955
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)CC1
InChIInChI=1S/C22H30N4O2/c1-15-3-7-18(8-4-15)23-21(27)22-24-20(25-28-22)17-5-9-19(10-6-17)26-13-11-16(2)12-14-26/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3,(H,23,27)
InChIKeyGJCRZAOJPKXCKG-UHFFFAOYSA-N
XLogP4.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide 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 N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 50827955) is N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCC(NC(=O)c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GJCRZAOJPKXCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15-3-7-18(8-4-15)23-21(27)22-24-20(25-28-22)17-5-9-19(10-6-17)26-13-11-16(2)12-14-26/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50827955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).