5-methyl-3-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide

• ChemBase ID: 743296
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: c1(C(=O)NC(c2nc(no2)CCC)C)c(noc1C)c1ccccc1
• Canonical SMILES: CCCc1noc(n1)C(NC(=O)c1c(C)onc1c1ccccc1)C
• InChI: InChI=1S/C18H20N4O3/c1-4-8-14-20-18(25-21-14)11(2)19-17(23)15-12(3)24-22-16(15)13-9-6-5-7-10-13/h5-7,9-11H,4,8H2,1-3H3,(H,19,23)
• InChIKey: ZBOGOYQGQKBYJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-3-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-3-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
• Synonyms: 5-methyl-3-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]isoxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.525233
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.468626
• LogD (pH = 7.4): 3.468627
• Log P: 3.4686272
• Molar Refractivity: 94.2909 cm^3
• Polarizability: 35.708324 Å^3
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.8
• LOG S: -3.22
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 6