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

• ChemBase ID: 473871
• Molecular Formular: C24H29N5O
• Molecular Mass: 403.51996
• Monoisotopic Mass: 403.23721057
• SMILES: c1(nc(on1)CN1CCN(c2ccncc2)CC1)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: Cc1ccc(cc1)C1(CCCC1)c1noc(n1)CN1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C24H29N5O/c1-19-4-6-20(7-5-19)24(10-2-3-11-24)23-26-22(30-27-23)18-28-14-16-29(17-15-28)21-8-12-25-13-9-21/h4-9,12-13H,2-3,10-11,14-18H2,1H3
• InChIKey: FOMVYUDCMNWGTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3708122
• LogD (pH = 7.4): 3.9343703
• Log P: 4.7963862
• Molar Refractivity: 130.2927 cm^3
• Polarizability: 45.02371 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.84
• LOG S: -4.54
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5