9-[(dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

• ChemBase ID: 638479
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: c1(c(onc1C)C)CN1CCC2(CC1)OCCCC2O
• Canonical SMILES: Cc1onc(c1CN1CCC2(CC1)OCCCC2O)C
• InChI: InChI=1S/C15H24N2O3/c1-11-13(12(2)20-16-11)10-17-7-5-15(6-8-17)14(18)4-3-9-19-15/h14,18H,3-10H2,1-2H3
• InChIKey: VLPWPODFJKUEKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
• IUPAC Traditional name: 9-[(dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
• Synonyms: 9-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.986284
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2792933
• LogD (pH = 7.4): -0.5078574
• Log P: 0.2705368
• Molar Refractivity: 77.6525 cm^3
• Polarizability: 29.65225 Å^3
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.2
• LOG S: -2.12
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 2