1,2,5-oxadiazole

• ChemBase ID: 127500
• Molecular Formular: C2H2N2O
• Molecular Mass: 70.05008
• Monoisotopic Mass: 70.01671269
• SMILES: n1oncc1
• Canonical SMILES: c1cnon1
• InChI: InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H
• InChIKey: JKFAIQOWCVVSKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,5-oxadiazole
• IUPAC Traditional name: furazan
• Synonyms: Furazan

Database IDs

• CAS Number: 288-37-9
• PubChem SID: 162221819
• PubChem CID: 67517
• Chemspider ID: 60840
• Wikipedia Title: Furazan

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.43790892
• LogD (pH = 7.4): -0.43790892
• Log P: -0.43790892
• Molar Refractivity: 16.4286 cm^3
• Polarizability: 5.572804 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98°C