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

• ChemBase ID: 496695
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: c1(noc(c1)c1ccccc1)C(=O)N(Cc1nc(on1)C1CCC1)CC
• Canonical SMILES: CCN(C(=O)c1noc(c1)c1ccccc1)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C19H20N4O3/c1-2-23(12-17-20-18(26-22-17)14-9-6-10-14)19(24)15-11-16(25-21-15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3
• InChIKey: IEQFBRQDVOBEDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3148322
• LogD (pH = 7.4): 3.3148322
• Log P: 3.3148322
• Molar Refractivity: 96.9424 cm^3
• Polarizability: 36.90576 Å^3
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.54
• LOG S: -3.94
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 6