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

• ChemBase ID: 308949
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: c1(c(ocn1)C(C)C)CO
• Canonical SMILES: OCc1ncoc1C(C)C
• InChI: InChI=1S/C7H11NO2/c1-5(2)7-6(3-9)8-4-10-7/h4-5,9H,3H2,1-2H3
• InChIKey: WKKPLMDFAIAYRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(propan-2-yl)-1,3-oxazol-4-yl]methanol
• IUPAC Traditional name: (5-isopropyl-1,3-oxazol-4-yl)methanol
• Synonyms: (5-isopropyl-1,3-oxazol-4-yl)methanol

Database IDs

• CAS Number: 1210700-52-9
• MDL Number: MFCD13188579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.31631336
• LogD (pH = 7.4): 0.31631562
• Log P: 0.31631586
• Molar Refractivity: 37.2064 cm^3
• Polarizability: 14.242962 Å^3
• Polar Surface Area: 46.26 Å^2