2-(3-methyl-1,2-oxazol-5-yl)-1-{2-oxa-7-azaspiro[4.5]decan-7-yl}ethan-1-one

• ChemBase ID: 864746
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: C(=O)(N1CC2(COCC2)CCC1)Cc1onc(c1)C
• Canonical SMILES: O=C(N1CCCC2(C1)COCC2)Cc1onc(c1)C
• InChI: InChI=1S/C14H20N2O3/c1-11-7-12(19-15-11)8-13(17)16-5-2-3-14(9-16)4-6-18-10-14/h7H,2-6,8-10H2,1H3
• InChIKey: DUHKOSPGLDZNGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-1,2-oxazol-5-yl)-1-{2-oxa-7-azaspiro[4.5]decan-7-yl}ethan-1-one
• IUPAC Traditional name: 2-(3-methyl-1,2-oxazol-5-yl)-1-{2-oxa-7-azaspiro[4.5]decan-7-yl}ethanone
• Synonyms: 7-[(3-methylisoxazol-5-yl)acetyl]-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14947776
• LogD (pH = 7.4): 0.14948253
• Log P: 0.1494826
• Molar Refractivity: 70.6982 cm^3
• Polarizability: 26.976173 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.25
• LOG S: -2.28
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2