N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-propanamidobenzamide

• ChemBase ID: 549968
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: n1c(noc1C1CCC1)CN(C(=O)c1cc(NC(=O)CC)ccc1)CC
• Canonical SMILES: CCN(C(=O)c1cccc(c1)NC(=O)CC)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C19H24N4O3/c1-3-17(24)20-15-10-6-9-14(11-15)19(25)23(4-2)12-16-21-18(26-22-16)13-7-5-8-13/h6,9-11,13H,3-5,7-8,12H2,1-2H3,(H,20,24)
• InChIKey: CHGHXMIXGRMZAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-propanamidobenzamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-propanamidobenzamide
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-(propionylamino)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839071
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9110124
• LogD (pH = 7.4): 2.9110124
• Log P: 2.9110124
• Molar Refractivity: 100.3486 cm^3
• Polarizability: 36.70495 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.97
• LOG S: -3.48
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 7