5-(azidomethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 243697
• Molecular Formular: C4H6N4O2
• Molecular Mass: 142.11604
• Monoisotopic Mass: 142.04907545
• SMILES: [N+](=[N-])=NCC1OC(=O)NC1
• Canonical SMILES: [N-]=[N+]=NCC1CNC(=O)O1
• InChI: InChI=1S/C4H6N4O2/c5-8-7-2-3-1-6-4(9)10-3/h3H,1-2H2,(H,6,9)
• InChIKey: FNCOQFNRHPZTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(azidomethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-(azidomethyl)-1,3-oxazolidin-2-one
• Synonyms: 5-(azidomethyl)-1,3-oxazolidin-2-one

Database IDs

• MDL Number: MFCD14652296
• PubChem SID: 164299607
• PubChem CID: 22245058

CALCULATED PROPERTIES

• Acid pKa: 12.458521
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.28288227
• LogD (pH = 7.4): -0.28288558
• Log P: -0.16883658
• Molar Refractivity: 31.2722 cm^3
• Polarizability: 11.756947 Å^3
• Polar Surface Area: 67.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.43

Product Information

• Purity: 95%