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

• ChemBase ID: 298146
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: Cc1c(ocn1)OC
• Canonical SMILES: COc1ocnc1C
• InChI: InChI=1S/C5H7NO2/c1-4-5(7-2)8-3-6-4/h3H,1-2H3
• InChIKey: FWAZRRQVOCUISD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-4-methyl-1,3-oxazole
• IUPAC Traditional name: 5-methoxy-4-methyl-1,3-oxazole
• Synonyms: 4-Methyloxazole-5-methanol; 4-甲基噁唑-5-甲醇

Database IDs

• CAS Number: 45515-23-9
• MDL Number: MFCD06200857
• PubChem SID: 180683677
• PubChem CID: 57416910

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.02187349
• LogD (pH = 7.4): -0.021872895
• Log P: -0.021872887
• Molar Refractivity: 27.0754 cm^3
• Polarizability: 10.657278 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97+%