N-benzyl-N-ethyl-2-(2-fluorophenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 547264
• Molecular Formular: C20H19FN2O3
• Molecular Mass: 354.3748632
• Monoisotopic Mass: 354.1379707
• SMILES: c1(nc(oc1)COc1c(F)cccc1)C(=O)N(Cc1ccccc1)CC
• Canonical SMILES: CCN(C(=O)c1coc(n1)COc1ccccc1F)Cc1ccccc1
• InChI: InChI=1S/C20H19FN2O3/c1-2-23(12-15-8-4-3-5-9-15)20(24)17-13-26-19(22-17)14-25-18-11-7-6-10-16(18)21/h3-11,13H,2,12,14H2,1H3
• InChIKey: WFGJMCMTWRQURO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethyl-2-(2-fluorophenoxymethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-benzyl-N-ethyl-2-(2-fluorophenoxymethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-benzyl-N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4629312
• LogD (pH = 7.4): 3.4629312
• Log P: 3.4629312
• Molar Refractivity: 95.2476 cm^3
• Polarizability: 36.0593 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.17
• LOG S: -3.97
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6