1,2-oxazolidine

• ChemBase ID: 307261
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: N1OCCC1
• Canonical SMILES: C1CCNO1
• InChI: InChI=1S/C3H7NO/c1-2-4-5-3-1/h4H,1-3H2
• InChIKey: CIISBYKBBMFLEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-oxazolidine
• IUPAC Traditional name: isoxazolidine
• Synonyms: isoxazolidine

Database IDs

• CAS Number: 504-72-3
• MDL Number: MFCD06751698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35684934
• LogD (pH = 7.4): -0.2519407
• Log P: -0.2504248
• Molar Refractivity: 29.5549 cm^3
• Polarizability: 7.7528024 Å^3
• Polar Surface Area: 21.26 Å^2