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

• ChemBase ID: 605718
• Molecular Formular: C24H28ClN5O
• Molecular Mass: 437.96502
• Monoisotopic Mass: 437.19823822
• SMILES: c1(nc(on1)CN1CCN(c2ncc(cc2)Cl)CC1)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: Cc1ccc(cc1)C1(CCCC1)c1noc(n1)CN1CCN(CC1)c1ccc(cn1)Cl
• InChI: InChI=1S/C24H28ClN5O/c1-18-4-6-19(7-5-18)24(10-2-3-11-24)23-27-22(31-28-23)17-29-12-14-30(15-13-29)21-9-8-20(25)16-26-21/h4-9,16H,2-3,10-15,17H2,1H3
• InChIKey: NAEAFOPEBMXZGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.6125927
• LogD (pH = 7.4): 5.9796095
• Log P: 5.9869494
• Molar Refractivity: 135.411 cm^3
• Polarizability: 46.900414 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: 4.63
• LOG S: -5.96
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5