1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-diethylpiperidine-3-carboxamide

• ChemBase ID: 487277
• Molecular Formular: C19H25ClN4O2
• Molecular Mass: 376.8804
• Monoisotopic Mass: 376.16660374
• SMILES: n1c(noc1CN1CC(C(=O)N(CC)CC)CCC1)c1cc(Cl)ccc1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)Cc1onc(n1)c1cccc(c1)Cl)CC
• InChI: InChI=1S/C19H25ClN4O2/c1-3-24(4-2)19(25)15-8-6-10-23(12-15)13-17-21-18(22-26-17)14-7-5-9-16(20)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
• InChIKey: XCJYQUHXNAVFHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-diethylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-diethylpiperidine-3-carboxamide
• Synonyms: 1-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-diethyl-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3402419
• LogD (pH = 7.4): 3.0051503
• Log P: 3.394301
• Molar Refractivity: 114.1004 cm^3
• Polarizability: 39.853416 Å^3
• Polar Surface Area: 62.47 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: 3.46
• LOG S: -2.54
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4