2-(azidomethyl)-5-ethyl-1,3,4-oxadiazole

• ChemBase ID: 243650
• Molecular Formular: C5H7N5O
• Molecular Mass: 153.14198
• Monoisotopic Mass: 153.06505987
• SMILES: n1nc(oc1CN=[N+]=[N-])CC
• Canonical SMILES: [N-]=[N+]=NCc1nnc(o1)CC
• InChI: InChI=1S/C5H7N5O/c1-2-4-8-9-5(11-4)3-7-10-6/h2-3H2,1H3
• InChIKey: FNFONVOSPBGKBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)-5-ethyl-1,3,4-oxadiazole
• IUPAC Traditional name: 2-(azidomethyl)-5-ethyl-1,3,4-oxadiazole
• Synonyms: 2-(azidomethyl)-5-ethyl-1,3,4-oxadiazole

Database IDs

• MDL Number: MFCD14652303
• PubChem SID: 164299560
• PubChem CID: 61375720

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.20959844
• LogD (pH = 7.4): -0.20959842
• Log P: -0.095552765
• Molar Refractivity: 38.4866 cm^3
• Polarizability: 13.307168 Å^3
• Polar Surface Area: 68.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.514

Product Information

• Purity: 95%