5-methyl-1,2,4-oxadiazole-3-carbonyl azide

• ChemBase ID: 243572
• Molecular Formular: C4H3N5O2
• Molecular Mass: 153.09892
• Monoisotopic Mass: 153.02867436
• SMILES: c1(nc(on1)C)C(=O)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NC(=O)c1noc(n1)C
• InChI: InChI=1S/C4H3N5O2/c1-2-6-3(8-11-2)4(10)7-9-5/h1H3
• InChIKey: AAHJRETUHMQIFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1,2,4-oxadiazole-3-carbonyl azide
• IUPAC Traditional name: 5-methyl-1,2,4-oxadiazole-3-carbonyl azide
• Synonyms: 5-methyl-1,2,4-oxadiazole-3-carbonyl azide

Database IDs

• MDL Number: MFCD22578705
• PubChem SID: 164299482
• PubChem CID: 71757285

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.10432836
• LogD (pH = 7.4): 0.10432836
• Log P: 0.19362952
• Molar Refractivity: 34.4112 cm^3
• Polarizability: 11.70991 Å^3
• Polar Surface Area: 85.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.129

Product Information

• Purity: 95%