1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-3,3-diphenylpiperidine

• ChemBase ID: 608446
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: n1c(onc1COC)CN1CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: COCc1noc(n1)CN1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c1-26-16-20-23-21(27-24-20)15-25-14-8-13-22(17-25,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3
• InChIKey: OMXUJYSRWHKJGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8536519
• LogD (pH = 7.4): 3.5814712
• Log P: 4.099095
• Molar Refractivity: 117.3177 cm^3
• Polarizability: 40.76213 Å^3
• Polar Surface Area: 51.39 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: 3.84
• LOG S: -3.45
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6