3-methyl-1,2-oxazole-5-carbohydrazide

• ChemBase ID: 309047
• Molecular Formular: C5H7N3O2
• Molecular Mass: 141.12798
• Monoisotopic Mass: 141.05382648
• SMILES: c1(C(=O)NN)onc(c1)C
• Canonical SMILES: Cc1cc(on1)C(=O)NN
• InChI: InChI=1S/C5H7N3O2/c1-3-2-4(10-8-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)
• InChIKey: FMMNGIIARGTKKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1,2-oxazole-5-carbohydrazide
• IUPAC Traditional name: 3-methyl-1,2-oxazole-5-carbohydrazide
• Synonyms: 3-methyl-5-isoxazolecarbohydrazide

Database IDs

• CAS Number: 89179-79-3
• MDL Number: MFCD12827525

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0570623
• LogD (pH = 7.4): -1.056762
• Log P: -1.0566729
• Molar Refractivity: 35.5315 cm^3
• Polarizability: 12.480057 Å^3
• Polar Surface Area: 81.15 Å^2