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

• ChemBase ID: 627304
• Molecular Formular: C21H23N5O2
• Molecular Mass: 377.43962
• Monoisotopic Mass: 377.185175
• SMILES: c12c(N3CCC4(CN(C(=O)C4)Cc4ccccc4)CC3)ncnc1onc2C
• Canonical SMILES: O=C1CC2(CN1Cc1ccccc1)CCN(CC2)c1ncnc2c1c(C)no2
• InChI: InChI=1S/C21H23N5O2/c1-15-18-19(22-14-23-20(18)28-24-15)25-9-7-21(8-10-25)11-17(27)26(13-21)12-16-5-3-2-4-6-16/h2-6,14H,7-13H2,1H3
• InChIKey: CPWIWZSMYPXZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.795206
• LogD (pH = 7.4): 1.798893
• Log P: 1.7989402
• Molar Refractivity: 106.9519 cm^3
• Polarizability: 40.211365 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.46
• LOG S: -3.2
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 3