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

• ChemBase ID: 660078
• Molecular Formular: C15H18N4O3
• Molecular Mass: 302.32842
• Monoisotopic Mass: 302.13789046
• SMILES: n1c(onc1C)CN(C(=O)c1c(cc(NC(=O)C)cc1)C)C
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C)C(=O)N(Cc1onc(n1)C)C
• InChI: InChI=1S/C15H18N4O3/c1-9-7-12(17-11(3)20)5-6-13(9)15(21)19(4)8-14-16-10(2)18-22-14/h5-7H,8H2,1-4H3,(H,17,20)
• InChIKey: DKUPRPXBNNNFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-acetamido-N,2-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• IUPAC Traditional name: 4-acetamido-N,2-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• Synonyms: 4-(acetylamino)-N,2-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.763716
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.276629
• LogD (pH = 7.4): 1.2766289
• Log P: 1.2766291
• Molar Refractivity: 84.0141 cm^3
• Polarizability: 30.0211 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.11
• LOG S: -2.62
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4