1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 486424
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: n1c(noc1CN1CCC(C(=O)N2CCCC2)CC1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1noc(n1)CN1CCC(CC1)C(=O)N1CCCC1
• InChI: InChI=1S/C20H26N4O3/c1-26-17-6-4-15(5-7-17)19-21-18(27-22-19)14-23-12-8-16(9-13-23)20(25)24-10-2-3-11-24/h4-7,16H,2-3,8-14H2,1H3
• InChIKey: QFNYERSMPJZUNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(1-pyrrolidinylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.42639765
• LogD (pH = 7.4): 1.9374986
• Log P: 2.1635942
• Molar Refractivity: 113.9566 cm^3
• Polarizability: 39.770046 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.76
• LOG S: -1.47
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 4