2-(3-fluorophenoxymethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 420309
• Molecular Formular: C19H16F2N2O3
• Molecular Mass: 358.3387464
• Monoisotopic Mass: 358.11289882
• SMILES: c1(nc(oc1)COc1cc(F)ccc1)C(=O)N(Cc1ccc(F)cc1)C
• Canonical SMILES: Fc1ccc(cc1)CN(C(=O)c1coc(n1)COc1cccc(c1)F)C
• InChI: InChI=1S/C19H16F2N2O3/c1-23(10-13-5-7-14(20)8-6-13)19(24)17-11-26-18(22-17)12-25-16-4-2-3-15(21)9-16/h2-9,11H,10,12H2,1H3
• InChIKey: VXQQYWKRPADVLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2488253
• LogD (pH = 7.4): 3.2488253
• Log P: 3.2488253
• Molar Refractivity: 90.7154 cm^3
• Polarizability: 33.966564 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.98
• LOG S: -3.87
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6