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

• ChemBase ID: 90286
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: o1cc(nc1C)CO
• Canonical SMILES: Cc1nc(co1)CO
• InChI: InChI=1S/C5H7NO2/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
• InChIKey: BGPDSEDYUPFTBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-1,3-oxazol-4-yl)methanol
• IUPAC Traditional name: (2-methyl-1,3-oxazol-4-yl)methanol
• Synonyms: (2-Methyl-1,3-oxazol-4-yl)methanol; 4-(Hydroxymethyl)-2-methyl-1,3-oxazole; (2-methyl-1,3-oxazol-4-yl)methanol

Database IDs

• CAS Number: 141567-53-5
• MDL Number: MFCD08703638
• PubChem SID: 162077113
• PubChem CID: 5324810

CALCULATED PROPERTIES

• Acid pKa: 13.752887
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6476798
• LogD (pH = 7.4): -0.64767617
• Log P: -0.64767593
• Molar Refractivity: 27.5018 cm^3
• Polarizability: 10.594973 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 98%