N'-(2-ethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanediamide

• ChemBase ID: 576090
• Molecular Formular: C15H18N4O4
• Molecular Mass: 318.32782
• Monoisotopic Mass: 318.13280508
• SMILES: n1nc(oc1CNC(=O)CC(=O)Nc1c(OCC)cccc1)C
• Canonical SMILES: CCOc1ccccc1NC(=O)CC(=O)NCc1nnc(o1)C
• InChI: InChI=1S/C15H18N4O4/c1-3-22-12-7-5-4-6-11(12)17-14(21)8-13(20)16-9-15-19-18-10(2)23-15/h4-7H,3,8-9H2,1-2H3,(H,16,20)(H,17,21)
• InChIKey: BLNIGACUZFSHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-ethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanediamide
• IUPAC Traditional name: N'-(2-ethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanediamide
• Synonyms: N-(2-ethoxyphenyl)-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.877342
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.3788014
• LogD (pH = 7.4): -0.37881455
• Log P: -0.3788012
• Molar Refractivity: 84.5017 cm^3
• Polarizability: 31.025448 Å^3
• Polar Surface Area: 106.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.32
• LOG S: -1.7
• Polar Surface Area: 106.35 Å^2
• Rotatable Bonds: 7