N,N-diethyl-1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)pyrrolidin-3-amine

• ChemBase ID: 865748
• Molecular Formular: C23H34N4O
• Molecular Mass: 382.54226
• Monoisotopic Mass: 382.27326173
• SMILES: c1(nc(on1)CN1CC(CC1)N(CC)CC)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: CCN(C1CCN(C1)Cc1onc(n1)C1(CCCC1)c1ccc(cc1)C)CC
• InChI: InChI=1S/C23H34N4O/c1-4-27(5-2)20-12-15-26(16-20)17-21-24-22(25-28-21)23(13-6-7-14-23)19-10-8-18(3)9-11-19/h8-11,20H,4-7,12-17H2,1-3H3
• InChIKey: BWUSDHMXOSUEPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)pyrrolidin-3-amine
• IUPAC Traditional name: N,N-diethyl-1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)pyrrolidin-3-amine
• Synonyms: N,N-diethyl-1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.275988
• LogD (pH = 7.4): 2.2929945
• Log P: 4.8672233
• Molar Refractivity: 125.9839 cm^3
• Polarizability: 44.091343 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.6
• LOG S: -2.39
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4