2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetohydrazide

• ChemBase ID: 248845
• Molecular Formular: C6H9N3O3
• Molecular Mass: 171.15396
• Monoisotopic Mass: 171.06439116
• SMILES: n1c(cc(o1)C)OCC(=O)NN
• Canonical SMILES: Cc1cc(no1)OCC(=O)NN
• InChI: InChI=1S/C6H9N3O3/c1-4-2-6(9-12-4)11-3-5(10)8-7/h2H,3,7H2,1H3,(H,8,10)
• InChIKey: WAPPNDQGONPXEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetohydrazide
• IUPAC Traditional name: 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetohydrazide
• Synonyms: 2-[(5-methylisoxazol-3-yl)oxy]acetohydrazide

Database IDs

• MDL Number: MFCD06655581
• PubChem SID: 164304755
• PubChem CID: 4962147

CALCULATED PROPERTIES

• Acid pKa: 11.020615
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.65271765
• LogD (pH = 7.4): -0.65140885
• Log P: -0.6512962
• Molar Refractivity: 41.8173 cm^3
• Polarizability: 15.234228 Å^3
• Polar Surface Area: 90.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.011

Product Information

• Purity: 95%