5-(2,6-difluorophenoxymethyl)-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 575373
• Molecular Formular: C21H20F2N2O3
• Molecular Mass: 386.3919064
• Monoisotopic Mass: 386.14419895
• SMILES: c1(noc(c1)COc1c(F)cccc1F)C(=O)N(Cc1ccc(cc1)CC)C
• Canonical SMILES: CCc1ccc(cc1)CN(C(=O)c1noc(c1)COc1c(F)cccc1F)C
• InChI: InChI=1S/C21H20F2N2O3/c1-3-14-7-9-15(10-8-14)12-25(2)21(26)19-11-16(28-24-19)13-27-20-17(22)5-4-6-18(20)23/h4-11H,3,12-13H2,1-2H3
• InChIKey: DOQOLOVLDQOJGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-difluorophenoxymethyl)-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(2,6-difluorophenoxymethyl)-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(2,6-difluorophenoxy)methyl]-N-(4-ethylbenzyl)-N-methyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.476304
• LogD (pH = 7.4): 4.476304
• Log P: 4.476304
• Molar Refractivity: 101.6407 cm^3
• Polarizability: 37.54947 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: 4.08
• LOG S: -5.5
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6