(Z)-N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethenimidamide

• ChemBase ID: 256779
• Molecular Formular: C5H8N4O2
• Molecular Mass: 156.14262
• Monoisotopic Mass: 156.06472552
• SMILES: n1c(noc1C)C/C(=N/O)/N
• Canonical SMILES: O/N=C(/Cc1noc(n1)C)\N
• InChI: InChI=1S/C5H8N4O2/c1-3-7-5(9-11-3)2-4(6)8-10/h10H,2H2,1H3,(H2,6,8)
• InChIKey: MFSSENJFFKZDGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethenimidamide
• Synonyms: N'-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanimidamide

Database IDs

• MDL Number: MFCD09040666
• PubChem SID: 164312689
• PubChem CID: 16228727

CALCULATED PROPERTIES

• Acid pKa: 9.49109
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.35289678
• LogD (pH = 7.4): -0.34447816
• Log P: -0.34063724
• Molar Refractivity: 37.8493 cm^3
• Polarizability: 13.61487 Å^3
• Polar Surface Area: 97.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): -1.176

Product Information

• Purity: 95%