2-(4-chlorophenyl)-4-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}morpholine

• ChemBase ID: 315329
• Molecular Formular: C17H17ClN4O2
• Molecular Mass: 344.79548
• Monoisotopic Mass: 344.10400348
• SMILES: c12c(N3CC(c4ccc(cc4)Cl)OCC3)ncnc2oc(n1)CC
• Canonical SMILES: CCc1oc2c(n1)c(ncn2)N1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C17H17ClN4O2/c1-2-14-21-15-16(19-10-20-17(15)24-14)22-7-8-23-13(9-22)11-3-5-12(18)6-4-11/h3-6,10,13H,2,7-9H2,1H3
• InChIKey: LQTIMWLHXQCCPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}morpholine
• Synonyms: 7-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethyl[1,3]oxazolo[5,4-d]pyrimidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 2.31
• LOG S: -3.69

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4595127
• LogD (pH = 7.4): 3.459701
• Log P: 3.4597034
• Molar Refractivity: 91.3118 cm^3
• Polarizability: 34.94035 Å^3
• Polar Surface Area: 64.28 Å^2