5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

C20H31N5O — CID 124756392

IUPAC5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H]2CCCCN2Cc2cncn2C2CCCCC2)n1
InChIInChI=1S/C20H31N5O/c1-15(2)19-22-20(26-23-19)18-10-6-7-11-24(18)13-17-12-21-14-25(17)16-8-4-3-5-9-16/h12,14-16,18H,3-11,13H2,1-2H3/t18-/m0/s1
InChIKeySOPVTVZCGYGVSF-SFHVURJKSA-N
MW357.50 g/mol
LogP4.62
Rot. Bonds5

About 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 124756392) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID124756392
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H]2CCCCN2Cc2cncn2C2CCCCC2)n1
InChIInChI=1S/C20H31N5O/c1-15(2)19-22-20(26-23-19)18-10-6-7-11-24(18)13-17-12-21-14-25(17)16-8-4-3-5-9-16/h12,14-16,18H,3-11,13H2,1-2H3/t18-/m0/s1
InChIKeySOPVTVZCGYGVSF-SFHVURJKSA-N
XLogP4.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-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-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 124756392) is 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc([C@@H]2CCCCN2Cc2cncn2C2CCCCC2)n1.
What is the InChIKey of 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is SOPVTVZCGYGVSF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15(2)19-22-20(26-23-19)18-10-6-7-11-24(18)13-17-12-21-14-25(17)16-8-4-3-5-9-16/h12,14-16,18H,3-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 357.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(3-cyclohexylimidazol-4-yl)methyl]piperidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 124756392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).