1,2-oxazole-3-carbohydrazide

• ChemBase ID: 235603
• Molecular Formular: C4H5N3O2
• Molecular Mass: 127.1014
• Monoisotopic Mass: 127.03817642
• SMILES: c1(C(=O)NN)nocc1
• Canonical SMILES: NNC(=O)c1ccon1
• InChI: InChI=1S/C4H5N3O2/c5-6-4(8)3-1-2-9-7-3/h1-2H,5H2,(H,6,8)
• InChIKey: BIDIOFINQYYTRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-oxazole-3-carbohydrazide
• IUPAC Traditional name: 1,2-oxazole-3-carbohydrazide
• Synonyms: 1,2-oxazole-3-carbohydrazide; ISOXAZOLE-3-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• MDL Number: MFCD06738847
• PubChem SID: 164291513
• PubChem CID: 54338553

CALCULATED PROPERTIES

• Acid pKa: 11.835686
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7226326
• LogD (pH = 7.4): -0.7222135
• Log P: -0.72219384
• Molar Refractivity: 30.6905 cm^3
• Polarizability: 10.748001 Å^3
• Polar Surface Area: 81.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.124

Product Information

• Purity: 95%; 98%