{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl){[1-(2-methylpropyl)piperidin-4-yl]methyl}amine

• ChemBase ID: 584235
• Molecular Formular: C20H29ClN4O
• Molecular Mass: 376.92346
• Monoisotopic Mass: 376.20298925
• SMILES: n1c(noc1CN(CC1CCN(CC(C)C)CC1)C)c1cc(Cl)ccc1
• Canonical SMILES: CN(Cc1onc(n1)c1cccc(c1)Cl)CC1CCN(CC1)CC(C)C
• InChI: InChI=1S/C20H29ClN4O/c1-15(2)12-25-9-7-16(8-10-25)13-24(3)14-19-22-20(23-26-19)17-5-4-6-18(21)11-17/h4-6,11,15-16H,7-10,12-14H2,1-3H3
• InChIKey: MOFSWSKCJWIODM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl){[1-(2-methylpropyl)piperidin-4-yl]methyl}amine
• IUPAC Traditional name: {[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl){[1-(2-methylpropyl)piperidin-4-yl]methyl}amine
• Synonyms: 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-isobutyl-4-piperidinyl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2437495
• LogD (pH = 7.4): 1.4056532
• Log P: 4.4978724
• Molar Refractivity: 118.773 cm^3
• Polarizability: 42.00005 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: 4.28
• LOG S: -3.01
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6