4-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 395314
• Molecular Formular: C22H22N4O3
• Molecular Mass: 390.43508
• Monoisotopic Mass: 390.16919058
• SMILES: c12c(N3CC(c4cc5c(cc(cc5)OC)cc4)OCC3)ncnc2oc(n1)CC
• Canonical SMILES: CCc1oc2c(n1)c(ncn2)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C22H22N4O3/c1-3-19-25-20-21(23-13-24-22(20)29-19)26-8-9-28-18(12-26)16-5-4-15-11-17(27-2)7-6-14(15)10-16/h4-7,10-11,13,18H,3,8-9,12H2,1-2H3
• InChIKey: WWDGZVAVVFHFPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 2-ethyl-7-[2-(6-methoxy-2-naphthyl)morpholin-4-yl][1,3]oxazolo[5,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.6872735
• LogD (pH = 7.4): 3.6874619
• Log P: 3.6874642
• Molar Refractivity: 109.4204 cm^3
• Polarizability: 43.061474 Å^3
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.86
• LOG S: -5.6
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 4