(2-ethyl-5-methyl-1,3-oxazol-4-yl)methanol

• ChemBase ID: 815563
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: C(O)c1nc(oc1C)CC
• Canonical SMILES: CCc1nc(c(o1)C)CO
• InChI: InChI=1S/C7H11NO2/c1-3-7-8-6(4-9)5(2)10-7/h9H,3-4H2,1-2H3
• InChIKey: MEYRFPUNSXFPKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethyl-5-methyl-1,3-oxazol-4-yl)methanol
• IUPAC Traditional name: (2-ethyl-5-methyl-1,3-oxazol-4-yl)methanol
• Synonyms: (2-ethyl-5-methyloxazol-4-yl)methanol

Database IDs

• CAS Number: 675149-60-7

CALCULATED PROPERTIES

• Acid pKa: 13.795566
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.25240576
• LogD (pH = 7.4): 0.25242084
• Log P: 0.25242123
• Molar Refractivity: 37.2784 cm^3
• Polarizability: 14.170612 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%