5-ethoxy-4-methyl-1,3-oxazole

• ChemBase ID: 798450
• Molecular Formular: C6H9NO2
• Molecular Mass: 127.14116
• Monoisotopic Mass: 127.06332853
• SMILES: o1cnc(c1OCC)C
• Canonical SMILES: CCOc1ocnc1C
• InChI: InChI=1S/C6H9NO2/c1-3-8-6-5(2)7-4-9-6/h4H,3H2,1-2H3
• InChIKey: FWPDSAJKWKRRJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxy-4-methyl-1,3-oxazole
• IUPAC Traditional name: 5-ethoxy-4-methyl-1,3-oxazole
• Synonyms: 5-ethoxy-4-methyloxazole

Database IDs

• CAS Number: 5006-20-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.33493447
• LogD (pH = 7.4): 0.33493507
• Log P: 0.33493507
• Molar Refractivity: 31.824 cm^3
• Polarizability: 12.479616 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%