5-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-1-azabicyclo[3.2.1]octane

• ChemBase ID: 382397
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: c1(nnco1)c1cc(OC23CN(CC2)CCC3)ccc1
• Canonical SMILES: n1coc(n1)c1cccc(c1)OC12CCCN(C2)CC1
• InChI: InChI=1S/C15H17N3O2/c1-3-12(14-17-16-11-19-14)9-13(4-1)20-15-5-2-7-18(10-15)8-6-15/h1,3-4,9,11H,2,5-8,10H2
• InChIKey: PQLMGYHCZDAXOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-1-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 5-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-1-azabicyclo[3.2.1]octane
• Synonyms: 5-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-1-azabicyclo[3.2.1]octane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3079646
• LogD (pH = 7.4): -1.180334
• Log P: 1.1181971
• Molar Refractivity: 86.5647 cm^3
• Polarizability: 29.35208 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.82
• LOG S: -1.73
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3