9-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

• ChemBase ID: 745915
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: n1c(occ1CN1CC2(OCC1)CCCC2)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1occ(n1)CN1CCOC2(C1)CCCC2
• InChI: InChI=1S/C18H22N2O2/c1-2-6-15(7-3-1)17-19-16(13-21-17)12-20-10-11-22-18(14-20)8-4-5-9-18/h1-3,6-7,13H,4-5,8-12,14H2
• InChIKey: LIMWRUZMENYFLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
• IUPAC Traditional name: 9-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
• Synonyms: 9-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.952216
• LogD (pH = 7.4): 2.967384
• Log P: 3.0227463
• Molar Refractivity: 95.2668 cm^3
• Polarizability: 33.920143 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.83
• LOG S: -2.79
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 3