{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}[(1-ethylpiperidin-3-yl)methyl]methylamine

• ChemBase ID: 712443
• Molecular Formular: C18H25ClN4O
• Molecular Mass: 348.8703
• Monoisotopic Mass: 348.17168912
• SMILES: n1c(noc1CN(CC1CN(CCC1)CC)C)c1ccc(cc1)Cl
• Canonical SMILES: CCN1CCCC(C1)CN(Cc1onc(n1)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C18H25ClN4O/c1-3-23-10-4-5-14(12-23)11-22(2)13-17-20-18(21-24-17)15-6-8-16(19)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
• InChIKey: YDPDDZJIPFINDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}[(1-ethylpiperidin-3-yl)methyl]methylamine
• IUPAC Traditional name: {[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}[(1-ethylpiperidin-3-yl)methyl]methylamine
• Synonyms: 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-ethyl-3-piperidinyl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6990523
• LogD (pH = 7.4): 1.4157692
• Log P: 3.66908
• Molar Refractivity: 109.6786 cm^3
• Polarizability: 38.31857 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.35
• LOG S: -2.2
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 5