N-[(4-acetamidophenyl)methyl]-2-{[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino}acetamide

• ChemBase ID: 699349
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: n1nc(oc1CNCC(=O)NCc1ccc(NC(=O)C)cc1)C
• Canonical SMILES: O=C(NCc1ccc(cc1)NC(=O)C)CNCc1nnc(o1)C
• InChI: InChI=1S/C15H19N5O3/c1-10(21)18-13-5-3-12(4-6-13)7-17-14(22)8-16-9-15-20-19-11(2)23-15/h3-6,16H,7-9H2,1-2H3,(H,17,22)(H,18,21)
• InChIKey: PGJABHRZAPODCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-acetamidophenyl)methyl]-2-{[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino}acetamide
• IUPAC Traditional name: N-[(4-acetamidophenyl)methyl]-2-{[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino}acetamide
• Synonyms: N-[4-(acetylamino)benzyl]-2-{[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.151712
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.9004388
• LogD (pH = 7.4): -1.4442621
• Log P: -1.4338342
• Molar Refractivity: 86.2784 cm^3
• Polarizability: 31.829699 Å^3
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.91
• LOG S: -1.19
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 7