ethyl 2-(1,3-oxazol-2-yl)acetate

• ChemBase ID: 815381
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: O(C(=O)Cc1occn1)CC
• Canonical SMILES: CCOC(=O)Cc1ncco1
• InChI: InChI=1S/C7H9NO3/c1-2-10-7(9)5-6-8-3-4-11-6/h3-4H,2,5H2,1H3
• InChIKey: FXWLQNCICFITCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1,3-oxazol-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(1,3-oxazol-2-yl)acetate
• Synonyms: ethyl 2-(oxazol-2-yl)acetate

Database IDs

• CAS Number: 1060814-76-7

CALCULATED PROPERTIES

• Acid pKa: 18.856241
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4331311
• LogD (pH = 7.4): 0.43313238
• Log P: 0.43313238
• Molar Refractivity: 37.0699 cm^3
• Polarizability: 14.525037 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%