7-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 709599
• Molecular Formular: C18H20N2O3
• Molecular Mass: 312.363
• Monoisotopic Mass: 312.14739251
• SMILES: n1c(occ1CN1C(=O)CCC2(C1)COCC2)c1ccccc1
• Canonical SMILES: O=C1CCC2(CN1Cc1coc(n1)c1ccccc1)COCC2
• InChI: InChI=1S/C18H20N2O3/c21-16-6-7-18(8-9-22-13-18)12-20(16)10-15-11-23-17(19-15)14-4-2-1-3-5-14/h1-5,11H,6-10,12-13H2
• InChIKey: SXXFEQDXJOMABD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4930372
• LogD (pH = 7.4): 1.4930382
• Log P: 1.4930382
• Molar Refractivity: 95.321 cm^3
• Polarizability: 33.600277 Å^3
• Polar Surface Area: 55.57 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: 1.61
• LOG S: -3.25
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3