({3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)(2-phenylethyl)amine

• ChemBase ID: 429490
• Molecular Formular: C19H20ClN3O
• Molecular Mass: 341.8346
• Monoisotopic Mass: 341.12948996
• SMILES: n1c(onc1Cc1c(Cl)cccc1)CN(CCc1ccccc1)C
• Canonical SMILES: CN(Cc1onc(n1)Cc1ccccc1Cl)CCc1ccccc1
• InChI: InChI=1S/C19H20ClN3O/c1-23(12-11-15-7-3-2-4-8-15)14-19-21-18(22-24-19)13-16-9-5-6-10-17(16)20/h2-10H,11-14H2,1H3
• InChIKey: MUIJKODWXRGERT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)(2-phenylethyl)amine
• IUPAC Traditional name: ({3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)(2-phenylethyl)amine
• Synonyms: N-{[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-phenylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0464547
• LogD (pH = 7.4): 4.5521793
• Log P: 4.7744493
• Molar Refractivity: 98.0625 cm^3
• Polarizability: 37.060837 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.98
• LOG S: -3.69
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7