1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3-methoxypropyl)piperidine

• ChemBase ID: 862251
• Molecular Formular: C25H31N3O2
• Molecular Mass: 405.53254
• Monoisotopic Mass: 405.24162725
• SMILES: c1(nc(on1)CN1CCC(CC1)CCCOC)C(c1ccccc1)c1ccccc1
• Canonical SMILES: COCCCC1CCN(CC1)Cc1onc(n1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H31N3O2/c1-29-18-8-9-20-14-16-28(17-15-20)19-23-26-25(27-30-23)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,24H,8-9,14-19H2,1H3
• InChIKey: YKAIAILFSZKLHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3-methoxypropyl)piperidine
• Synonyms: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.368034
• LogD (pH = 7.4): 4.8236613
• Log P: 5.0139523
• Molar Refractivity: 121.1321 cm^3
• Polarizability: 46.28674 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.96
• LOG S: -4.68
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 8