2-(4-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

• ChemBase ID: 279863
• Molecular Formular: C14H14N2O5
• Molecular Mass: 290.27136
• Monoisotopic Mass: 290.09027156
• SMILES: c1(noc(c1)C)NC(=O)COc1c(cc(C=O)cc1)OC
• Canonical SMILES: COc1cc(C=O)ccc1OCC(=O)Nc1noc(c1)C
• InChI: InChI=1S/C14H14N2O5/c1-9-5-13(16-21-9)15-14(18)8-20-11-4-3-10(7-17)6-12(11)19-2/h3-7H,8H2,1-2H3,(H,15,16,18)
• InChIKey: ZWBULTZMHLAZKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• IUPAC Traditional name: 2-(4-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• Synonyms: 2-(4-formyl-2-methoxyphenoxy)-N-(5-methylisoxazol-3-yl)acetamide

Database IDs

• MDL Number: MFCD07810438
• PubChem SID: 164335773
• PubChem CID: 7919423

CALCULATED PROPERTIES

• Acid pKa: 10.886185
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4412531
• LogD (pH = 7.4): 1.4411203
• Log P: 1.4412551
• Molar Refractivity: 76.8355 cm^3
• Polarizability: 27.750856 Å^3
• Polar Surface Area: 90.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.119

Product Information

• Purity: 95%