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

• ChemBase ID: 387229
• Molecular Formular: C14H14N2O5
• Molecular Mass: 290.27136
• Monoisotopic Mass: 290.09027156
• SMILES: c1(nc(oc1)COc1ccccc1)C(=O)NCC(=O)OC
• Canonical SMILES: COC(=O)CNC(=O)c1coc(n1)COc1ccccc1
• InChI: InChI=1S/C14H14N2O5/c1-19-13(17)7-15-14(18)11-8-21-12(16-11)9-20-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,15,18)
• InChIKey: KWFDANLDEQEQKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.144633
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6391495
• LogD (pH = 7.4): 0.63914263
• Log P: 0.63914955
• Molar Refractivity: 71.627 cm^3
• Polarizability: 27.663773 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: 1.32
• LOG S: -2.98
• Polar Surface Area: 90.66 Å^2
• Rotatable Bonds: 6