2,4-dimethyl-1,3-oxazole

• ChemBase ID: 236021
• Molecular Formular: C5H7NO
• Molecular Mass: 97.11518
• Monoisotopic Mass: 97.05276385
• SMILES: n1c(occ1C)C
• Canonical SMILES: Cc1occ(n1)C
• InChI: InChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
• InChIKey: PSOZJOZKEVZLKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethyl-1,3-oxazole
• IUPAC Traditional name: oxazole, 2,4-dimethyl-
• Synonyms: 2,4-dimethyl-1,3-oxazole; 2,4-dimethyloxazole

Database IDs

• CAS Number: 1938830
• MDL Number: MFCD00234124
• PubChem SID: 164291931
• PubChem CID: 138961

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.1695459
• LogD (pH = 7.4): 0.16957177
• Log P: 0.1695721
• Molar Refractivity: 25.7996 cm^3
• Polarizability: 9.851409 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.359

Product Information

• Purity: 95%; 97%; 98%