2-methyl-1,3-oxazole-4-carbohydrazide

• ChemBase ID: 78145
• Molecular Formular: C5H7N3O2
• Molecular Mass: 141.12798
• Monoisotopic Mass: 141.05382648
• SMILES: O=C(c1coc(n1)C)NN
• Canonical SMILES: Cc1nc(co1)C(=O)NN
• InChI: InChI=1S/C5H7N3O2/c1-3-7-4(2-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
• InChIKey: GBQAWWYOPRFGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,3-oxazole-4-carbohydrazide
• IUPAC Traditional name: 2-methyl-1,3-oxazole-4-carbohydrazide
• Synonyms: 2-Methyl-1,3-oxazole-4-carboxylic acid hydrazide; 2-Methyl-1,3-oxazole-4-carbohydrazide

Database IDs

• CAS Number: 500341-65-1
• MDL Number: MFCD11052651
• PubChem SID: 162042960
• PubChem CID: 268216

CALCULATED PROPERTIES

• Acid pKa: 11.962692
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0222466
• LogD (pH = 7.4): -1.0217996
• Log P: -1.0217831
• Molar Refractivity: 34.3986 cm^3
• Polarizability: 12.478613 Å^3
• Polar Surface Area: 81.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold