2-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 380432
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: c12c(N3CC4(C(=O)N(C(C)C)CCC4)CC3)ncnc2oc(n1)CC
• Canonical SMILES: CCc1oc2c(n1)c(ncn2)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C18H25N5O2/c1-4-13-21-14-15(19-11-20-16(14)25-13)22-9-7-18(10-22)6-5-8-23(12(2)3)17(18)24/h11-12H,4-10H2,1-3H3
• InChIKey: FAMJKYKMRDZGJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-ethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -2.58
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 1.02

JChem

• Molar Refractivity: 94.93 cm^3
• Polarizability: 36.15756 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0150084
• LogD (pH = 7.4): 2.0152085
• Log P: 2.015211