[2-(propan-2-yl)-1,3-oxazol-4-yl]methanol

• ChemBase ID: 309210
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: n1c(occ1CO)C(C)C
• Canonical SMILES: OCc1coc(n1)C(C)C
• InChI: InChI=1S/C7H11NO2/c1-5(2)7-8-6(3-9)4-10-7/h4-5,9H,3H2,1-2H3
• InChIKey: NCXGFKHNRCWGFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(propan-2-yl)-1,3-oxazol-4-yl]methanol
• IUPAC Traditional name: (2-isopropyl-1,3-oxazol-4-yl)methanol
• Synonyms: (2-isopropyl-1,3-oxazol-4-yl)methanol

Database IDs

• CAS Number: 162740-03-6
• MDL Number: MFCD16556117

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5958439
• LogD (pH = 7.4): 0.59584594
• Log P: 0.5958462
• Molar Refractivity: 36.7032 cm^3
• Polarizability: 14.242357 Å^3
• Polar Surface Area: 46.26 Å^2