(1R,5S,8R)-8-methoxy-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-azabicyclo[3.2.1]octane

• ChemBase ID: 473644
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: n1c(occ1CN1C[C@H]2[C@H]([C@@H](C1)CC2)OC)c1ccccc1
• Canonical SMILES: CO[C@@H]1[C@H]2CC[C@@H]1CN(C2)Cc1coc(n1)c1ccccc1
• InChI: InChI=1S/C18H22N2O2/c1-21-17-14-7-8-15(17)10-20(9-14)11-16-12-22-18(19-16)13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3/t14-,15+,17+
• InChIKey: MGMISYGMFORJAM-QLPKVWCKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S,8R)-8-methoxy-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-azabicyclo[3.2.1]octane
• IUPAC Traditional name: (1R,5S,8R)-8-methoxy-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-azabicyclo[3.2.1]octane
• Synonyms: (8-syn)-8-methoxy-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-azabicyclo[3.2.1]octane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.10844032
• LogD (pH = 7.4): 1.6614519
• Log P: 2.4188833
• Molar Refractivity: 95.3956 cm^3
• Polarizability: 33.920143 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.5
• LOG S: -2.5
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4