N-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-N-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

• ChemBase ID: 313831
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(nnc(o1)CN(C1CN2CCC1CC2)Cc1cnccc1)c1occc1
• Canonical SMILES: c1ccc(cn1)CN(C1CN2CCC1CC2)Cc1nnc(o1)c1ccco1
• InChI: InChI=1S/C20H23N5O2/c1-3-15(11-21-7-1)12-25(17-13-24-8-5-16(17)6-9-24)14-19-22-23-20(27-19)18-4-2-10-26-18/h1-4,7,10-11,16-17H,5-6,8-9,12-14H2
• InChIKey: GTPIDZRTQAUFCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-N-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
• IUPAC Traditional name: N-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-N-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
• Synonyms: N-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl}-N-(3-pyridinylmethyl)quinuclidin-3-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.69
• LOG S: -0.15
• Polar Surface Area: 71.43 Å^2
• Rotatable Bonds: 6
• H Acceptors: 7
• H Donor: 0

JChem

• Molar Refractivity: 112.7718 cm^3
• Polarizability: 39.46194 Å^3
• Polar Surface Area: 71.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.4212663
• LogD (pH = 7.4): -0.62158364
• Log P: 0.93671536