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

• ChemBase ID: 309539
• Molecular Formular: C5H7N3O2
• Molecular Mass: 141.12798
• Monoisotopic Mass: 141.05382648
• SMILES: c1(C(=O)NN)ncoc1C
• Canonical SMILES: Cc1ocnc1C(=O)NN
• InChI: InChI=1S/C5H7N3O2/c1-3-4(5(9)8-6)7-2-10-3/h2H,6H2,1H3,(H,8,9)
• InChIKey: LORNCPMVORWVFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1,3-oxazole-4-carbohydrazide
• IUPAC Traditional name: 5-methyl-1,3-oxazole-4-carbohydrazide
• Synonyms: 5-methyl-1,3-oxazole-4-carbohydrazide

Database IDs

• CAS Number: 170959-36-1
• MDL Number: MFCD18447663

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.94577104
• LogD (pH = 7.4): -0.9452977
• Log P: -0.9452866
• Molar Refractivity: 35.1076 cm^3
• Polarizability: 12.479628 Å^3
• Polar Surface Area: 81.15 Å^2