methyl 2-{[2-(4-fluorophenoxymethyl)-1,3-oxazol-4-yl]formamido}acetate

• ChemBase ID: 662664
• Molecular Formular: C14H13FN2O5
• Molecular Mass: 308.2618232
• Monoisotopic Mass: 308.08084975
• SMILES: c1(nc(oc1)COc1ccc(F)cc1)C(=O)NCC(=O)OC
• Canonical SMILES: COC(=O)CNC(=O)c1coc(n1)COc1ccc(cc1)F
• InChI: InChI=1S/C14H13FN2O5/c1-20-13(18)6-16-14(19)11-7-22-12(17-11)8-21-10-4-2-9(15)3-5-10/h2-5,7H,6,8H2,1H3,(H,16,19)
• InChIKey: YTICHGWBGWRBGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[2-(4-fluorophenoxymethyl)-1,3-oxazol-4-yl]formamido}acetate
• IUPAC Traditional name: methyl 2-{[2-(4-fluorophenoxymethyl)-1,3-oxazol-4-yl]formamido}acetate
• Synonyms: methyl N-({2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)glycinate

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.144633
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7818514
• LogD (pH = 7.4): 0.78184456
• Log P: 0.7818515
• Molar Refractivity: 71.8434 cm^3
• Polarizability: 27.454428 Å^3
• Polar Surface Area: 90.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.61
• LOG S: -3.35
• Polar Surface Area: 90.66 Å^2
• Rotatable Bonds: 6