8-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 334756
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c12c(N3CC4(CN(C(=O)CC4)C(C)C)CCC3)ncnc2oc(n1)CC
• Canonical SMILES: CCc1oc2c(n1)c(ncn2)N1CCCC2(C1)CCC(=O)N(C2)C(C)C
• InChI: InChI=1S/C19H27N5O2/c1-4-14-22-16-17(20-12-21-18(16)26-14)23-9-5-7-19(10-23)8-6-15(25)24(11-19)13(2)3/h12-13H,4-11H2,1-3H3
• InChIKey: NJCZGXJEJOYZTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-isopropyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(2-ethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-isopropyl-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.103549
• LogD (pH = 7.4): 2.1037502
• Log P: 2.1037529
• Molar Refractivity: 99.3252 cm^3
• Polarizability: 37.99399 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: 1.39
• LOG S: -2.99
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 3