8-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 721121
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c12c(N3CCC4(CC(=O)NC4)CC3)ncnc2oc(n1)CC
• Canonical SMILES: CCc1oc2c(n1)c(ncn2)N1CCC2(CC1)CNC(=O)C2
• InChI: InChI=1S/C15H19N5O2/c1-2-11-19-12-13(17-9-18-14(12)22-11)20-5-3-15(4-6-20)7-10(21)16-8-15/h9H,2-8H2,1H3,(H,16,21)
• InChIKey: AGSPDTSTRTYAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2-ethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.732936
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5060124
• LogD (pH = 7.4): 0.5062149
• Log P: 0.50621766
• Molar Refractivity: 80.8141 cm^3
• Polarizability: 30.65465 Å^3
• Polar Surface Area: 84.15 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: -0.98
• LOG S: -1.87
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 2