2-(3,4-dichlorophenyl)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

• ChemBase ID: 490371
• Molecular Formular: C15H17Cl2N3O2
• Molecular Mass: 342.22038
• Monoisotopic Mass: 341.06978216
• SMILES: c1(nnc(o1)CC)CN1CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: CCc1nnc(o1)CN1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C15H17Cl2N3O2/c1-2-14-18-19-15(22-14)9-20-5-6-21-13(8-20)10-3-4-11(16)12(17)7-10/h3-4,7,13H,2,5-6,8-9H2,1H3
• InChIKey: CSINPEVPOZMDAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5101109
• LogD (pH = 7.4): 2.5659184
• Log P: 2.5666785
• Molar Refractivity: 86.8878 cm^3
• Polarizability: 33.173607 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.33
• LOG S: -3.53
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4