2-(2-fluorophenoxymethyl)-N-methyl-N-(2-methylprop-2-en-1-yl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 688726
• Molecular Formular: C16H17FN2O3
• Molecular Mass: 304.3161832
• Monoisotopic Mass: 304.12232063
• SMILES: c1(nc(oc1)COc1c(F)cccc1)C(=O)N(CC(=C)C)C
• Canonical SMILES: CC(=C)CN(C(=O)c1coc(n1)COc1ccccc1F)C
• InChI: InChI=1S/C16H17FN2O3/c1-11(2)8-19(3)16(20)13-9-22-15(18-13)10-21-14-7-5-4-6-12(14)17/h4-7,9H,1,8,10H2,2-3H3
• InChIKey: LMMSMGNQLOKALM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxymethyl)-N-methyl-N-(2-methylprop-2-en-1-yl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(2-fluorophenoxymethyl)-N-methyl-N-(2-methylprop-2-en-1-yl)-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(2-fluorophenoxy)methyl]-N-methyl-N-(2-methyl-2-propen-1-yl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3562613
• LogD (pH = 7.4): 2.3562613
• Log P: 2.3562613
• Molar Refractivity: 79.3311 cm^3
• Polarizability: 29.948011 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: 1.62
• LOG S: -2.7
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6