1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(pyridin-2-yl)piperazine

• ChemBase ID: 574214
• Molecular Formular: C24H29N5O
• Molecular Mass: 403.51996
• Monoisotopic Mass: 403.23721057
• SMILES: c1(nc(on1)CN1CCN(c2ncccc2)CC1)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: Cc1ccc(cc1)C1(CCCC1)c1noc(n1)CN1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C24H29N5O/c1-19-7-9-20(10-8-19)24(11-3-4-12-24)23-26-22(30-27-23)18-28-14-16-29(17-15-28)21-6-2-5-13-25-21/h2,5-10,13H,3-4,11-12,14-18H2,1H3
• InChIKey: OARXWYQXDIJVTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(pyridin-2-yl)piperazine
• IUPAC Traditional name: 1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(pyridin-2-yl)piperazine
• Synonyms: 1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(2-pyridinyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.66369
• LogD (pH = 7.4): 5.4063
• Log P: 5.4227614
• Molar Refractivity: 130.6062 cm^3
• Polarizability: 45.028168 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.84
• LOG S: -5.19
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5