7-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 501791
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c12c(N3CC4(COCC4)CCC3)ncnc2oc(n1)CC
• Canonical SMILES: CCc1oc2c(n1)c(ncn2)N1CCCC2(C1)COCC2
• InChI: InChI=1S/C15H20N4O2/c1-2-11-18-12-13(16-10-17-14(12)21-11)19-6-3-4-15(8-19)5-7-20-9-15/h10H,2-9H2,1H3
• InChIKey: ZMWIWTXGHZJHTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-(2-ethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7718779
• LogD (pH = 7.4): 1.7720788
• Log P: 1.7720814
• Molar Refractivity: 78.9557 cm^3
• Polarizability: 30.116007 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.67
• LOG S: -4.08
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 2