3-(1,2-oxazol-4-yl)propan-1-ol

• ChemBase ID: 306960
• Molecular Formular: C6H9NO2
• Molecular Mass: 127.14116
• Monoisotopic Mass: 127.06332853
• SMILES: n1occ(c1)CCCO
• Canonical SMILES: OCCCc1conc1
• InChI: InChI=1S/C6H9NO2/c8-3-1-2-6-4-7-9-5-6/h4-5,8H,1-3H2
• InChIKey: UAJXYTTYMXWESL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-oxazol-4-yl)propan-1-ol
• IUPAC Traditional name: 3-(1,2-oxazol-4-yl)propan-1-ol
• Synonyms: 3-isoxazol-4-ylpropan-1-ol

Database IDs

• CAS Number: 10421-09-7
• MDL Number: MFCD05864501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.30367073
• LogD (pH = 7.4): 0.3036713
• Log P: 0.30367133
• Molar Refractivity: 33.6719 cm^3
• Polarizability: 12.422449 Å^3
• Polar Surface Area: 46.26 Å^2