2-(dimethyl-1,2-oxazol-4-yl)acetohydrazide

• ChemBase ID: 309003
• Molecular Formular: C7H11N3O2
• Molecular Mass: 169.18114
• Monoisotopic Mass: 169.08512661
• SMILES: c1(c(onc1C)C)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1c(C)noc1C
• InChI: InChI=1S/C7H11N3O2/c1-4-6(3-7(11)9-8)5(2)12-10-4/h3,8H2,1-2H3,(H,9,11)
• InChIKey: SQWWSGYHSYSZPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,2-oxazol-4-yl)acetohydrazide
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-yl)acetohydrazide
• Synonyms: 2-(3,5-dimethyl-4-isoxazolyl)acetohydrazide

Database IDs

• CAS Number: 934172-43-7
• MDL Number: MFCD09881043

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.79876757
• LogD (pH = 7.4): -0.7969867
• Log P: -0.7969473
• Molar Refractivity: 44.8551 cm^3
• Polarizability: 16.229088 Å^3
• Polar Surface Area: 81.15 Å^2