N,3-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-1,2-oxazole-5-carboxamide

• ChemBase ID: 475589
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: c1(C(=O)N(C/C=C/c2ccccc2)C)onc(c1)C
• Canonical SMILES: Cc1noc(c1)C(=O)N(C/C=C/c1ccccc1)C
• InChI: InChI=1S/C15H16N2O2/c1-12-11-14(19-16-12)15(18)17(2)10-6-9-13-7-4-3-5-8-13/h3-9,11H,10H2,1-2H3/b9-6+
• InChIKey: SOEPYZANRMEPIW-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N,3-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-1,2-oxazole-5-carboxamide
• Synonyms: N,3-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]isoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0215425
• LogD (pH = 7.4): 2.0215437
• Log P: 2.0215437
• Molar Refractivity: 75.772 cm^3
• Polarizability: 27.705923 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.94
• LOG S: -1.87
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4