1,3-oxazole-5-carbohydrazide

• ChemBase ID: 309617
• Molecular Formular: C4H5N3O2
• Molecular Mass: 127.1014
• Monoisotopic Mass: 127.03817642
• SMILES: c1(C(=O)NN)ocnc1
• Canonical SMILES: NNC(=O)c1cnco1
• InChI: InChI=1S/C4H5N3O2/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8)
• InChIKey: XGOXHUIKFGEJHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-oxazole-5-carbohydrazide
• IUPAC Traditional name: 1,3-oxazole-5-carbohydrazide
• Synonyms: OXAZOLE-5-CARBOXYLIC ACID HYDRAZIDE; 1,3-oxazole-5-carbohydrazide

Database IDs

• CAS Number: 885274-30-6
• MDL Number: MFCD04114932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6110942
• LogD (pH = 7.4): -1.6107867
• Log P: -1.610697
• Molar Refractivity: 30.2074 cm^3
• Polarizability: 10.743304 Å^3
• Polar Surface Area: 81.15 Å^2
• Acid pKa: 11.057994
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%