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

• ChemBase ID: 572037
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c1(C(=O)N(Cc2noc(c2)c2ccccc2)C)c(nc(o1)CC)C
• Canonical SMILES: CCc1nc(c(o1)C(=O)N(Cc1noc(c1)c1ccccc1)C)C
• InChI: InChI=1S/C18H19N3O3/c1-4-16-19-12(2)17(23-16)18(22)21(3)11-14-10-15(24-20-14)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
• InChIKey: YHQQYDPRQADBME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8258172
• LogD (pH = 7.4): 1.8258184
• Log P: 1.8258184
• Molar Refractivity: 89.7219 cm^3
• Polarizability: 34.733215 Å^3
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.01
• LOG S: -3.29
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 5