N-[(5-fluoro-2-methylphenyl)methyl]-2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 749201
• Molecular Formular: C20H19FN2O4
• Molecular Mass: 370.3742632
• Monoisotopic Mass: 370.13288532
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)NCc1c(ccc(c1)F)C
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)NCc1cc(F)ccc1C
• InChI: InChI=1S/C20H19FN2O4/c1-13-6-7-15(21)8-14(13)10-22-20(24)18-11-27-19(23-18)12-26-17-5-3-4-16(9-17)25-2/h3-9,11H,10,12H2,1-2H3,(H,22,24)
• InChIKey: ZXKZNKUOIVUAFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-fluoro-2-methylphenyl)methyl]-2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[(5-fluoro-2-methylphenyl)methyl]-2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-(5-fluoro-2-methylbenzyl)-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.169706
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2381973
• LogD (pH = 7.4): 3.238191
• Log P: 3.2381973
• Molar Refractivity: 97.1067 cm^3
• Polarizability: 36.694736 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.97
• LOG S: -4.8
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 6