4-({2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]phenyl}methyl)morpholine

• ChemBase ID: 664147
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: n1c(onc1C)c1cnc(c2c(CN3CCOCC3)cccc2)cc1
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C19H20N4O2/c1-14-21-19(25-22-14)15-6-7-18(20-12-15)17-5-3-2-4-16(17)13-23-8-10-24-11-9-23/h2-7,12H,8-11,13H2,1H3
• InChIKey: UXNQFGMNMNYKQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]phenyl}methyl)morpholine
• IUPAC Traditional name: 4-({2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]phenyl}methyl)morpholine
• Synonyms: 4-{2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]benzyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2304051
• LogD (pH = 7.4): 2.6406093
• Log P: 2.806669
• Molar Refractivity: 106.6246 cm^3
• Polarizability: 38.24058 Å^3
• Polar Surface Area: 64.28 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: 1.64
• LOG S: -2.05
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 4