dimethyl({2-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]ethyl})amine

• ChemBase ID: 443039
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: n1c(noc1CCN(C)C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CN(CCc1onc(n1)c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C18H19N3O/c1-21(2)13-12-17-19-18(20-22-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
• InChIKey: NUZNIAKQNQEVBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]ethyl})amine
• Synonyms: 2-[3-(4-biphenylyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.259996
• LogD (pH = 7.4): 3.0472388
• Log P: 4.0950775
• Molar Refractivity: 99.7905 cm^3
• Polarizability: 35.54875 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.22
• LOG S: -3.08
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5