1,3-oxazolidine

• ChemBase ID: 128769
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: C1COCN1
• Canonical SMILES: C1NCCO1
• InChI: InChI=1S/C3H7NO/c1-2-5-3-4-1/h4H,1-3H2
• InChIKey: WYNCHZVNFNFDNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-oxazolidine
• IUPAC Traditional name: oxazolidine
• Synonyms: 1,3-Oxazacyclopentane; 1-Oxa-3-azacyclopentane; Tetrahydrooxazole; Oxazolidine (Technical Grade)DISCONTINUED; 1,3-oxazolidine; Oxazolidine

Database IDs

• CAS Number: 504-76-7
• PubChem SID: 162223073
• PubChem CID: 536683
• Wikipedia Title: Oxazolidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2632086
• LogD (pH = 7.4): -1.6973354
• Log P: -0.301278
• Molar Refractivity: 18.5774 cm^3
• Polarizability: 7.7528024 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone
• Apperance: Colorless Oil

Safety Information

• Storage Condition: -86?C Freezer
• Storage Warning: Temperature Sensitive

DETAILS

Toronto Research Chemicals - O846525

Oxazolidine derivatives with potential antitumor activity.

REFERENCES

• Caroon, J., et al.: J. Med. Chem., 26, 1426 (1983)
• Ebner, D., et al.: Bioorg. Med. Chem., 16, 2651 (1983)