2-[3-({[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](methyl)carbamoyl}amino)phenyl]acetamide

• ChemBase ID: 461708
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: c1(nnc(o1)CC)CN(C(=O)Nc1cc(CC(=O)N)ccc1)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)Nc1cccc(c1)CC(=O)N)C
• InChI: InChI=1S/C15H19N5O3/c1-3-13-18-19-14(23-13)9-20(2)15(22)17-11-6-4-5-10(7-11)8-12(16)21/h4-7H,3,8-9H2,1-2H3,(H2,16,21)(H,17,22)
• InChIKey: OAKZDLJEVPAADU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-({[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](methyl)carbamoyl}amino)phenyl]acetamide
• IUPAC Traditional name: 2-[3-({[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](methyl)carbamoyl}amino)phenyl]acetamide
• Synonyms: 2-[3-({[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl](methyl)amino]carbonyl}amino)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.321591
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.24175172
• LogD (pH = 7.4): -0.24175216
• Log P: -0.24175167
• Molar Refractivity: 86.4537 cm^3
• Polarizability: 31.456104 Å^3
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.56
• LOG S: -2.35
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 6