N,N-diethyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

• ChemBase ID: 574796
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: c1(nnc(o1)C)c1c(c2ccc(C(=O)N(CC)CC)cc2)cccc1
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)c1ccccc1c1nnc(o1)C)CC
• InChI: InChI=1S/C20H21N3O2/c1-4-23(5-2)20(24)16-12-10-15(11-13-16)17-8-6-7-9-18(17)19-22-21-14(3)25-19/h6-13H,4-5H2,1-3H3
• InChIKey: PYEWAHDOZHTFMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• IUPAC Traditional name: N,N-diethyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• Synonyms: N,N-diethyl-2'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.761354
• LogD (pH = 7.4): 2.7613542
• Log P: 2.7613542
• Molar Refractivity: 110.0311 cm^3
• Polarizability: 38.645077 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 1.19
• LOG S: -2.66