4,5-dimethyl-1,3-oxazole

• ChemBase ID: 815585
• Molecular Formular: C5H7NO
• Molecular Mass: 97.11518
• Monoisotopic Mass: 97.05276385
• SMILES: o1cnc(c1C)C
• Canonical SMILES: Cc1ocnc1C
• InChI: InChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
• InChIKey: YVORRVFKHZLJGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethyl-1,3-oxazole
• IUPAC Traditional name: 4,5-dimethyl-1,3-oxazole
• Synonyms: 4,5-dimethyloxazole

Database IDs

• CAS Number: 20662-83-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.24604751
• LogD (pH = 7.4): 0.24606843
• Log P: 0.24606869
• Molar Refractivity: 26.5086 cm^3
• Polarizability: 9.851818 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%