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

• ChemBase ID: 521735
• Molecular Formular: C13H15N5O3
• Molecular Mass: 289.2899
• Monoisotopic Mass: 289.11748937
• SMILES: c12c(N3CC4(OC(=O)NC4)CCC3)ncnc2oc(n1)C
• Canonical SMILES: O=C1NCC2(O1)CCCN(C2)c1ncnc2c1nc(o2)C
• InChI: InChI=1S/C13H15N5O3/c1-8-17-9-10(15-7-16-11(9)20-8)18-4-2-3-13(6-18)5-14-12(19)21-13/h7H,2-6H2,1H3,(H,14,19)
• InChIKey: FBVLEIQYZMOVSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.407355
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4481683
• LogD (pH = 7.4): 0.44833943
• Log P: 0.44834545
• Molar Refractivity: 72.6718 cm^3
• Polarizability: 27.732317 Å^3
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.32
• LOG S: -2.73
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 1