3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbohydrazide

• ChemBase ID: 273057
• Molecular Formular: C8H8N4O2
• Molecular Mass: 192.17472
• Monoisotopic Mass: 192.06472552
• SMILES: c12c(onc2C)ncc(c1)C(=O)NN
• Canonical SMILES: Cc1noc2c1cc(cn2)C(=O)NN
• InChI: InChI=1S/C8H8N4O2/c1-4-6-2-5(7(13)11-9)3-10-8(6)14-12-4/h2-3H,9H2,1H3,(H,11,13)
• InChIKey: NJAVJDZTEJMOHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbohydrazide
• IUPAC Traditional name: 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbohydrazide
• Synonyms: 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbohydrazide

Database IDs

• MDL Number: MFCD11644000
• PubChem SID: 164328967
• PubChem CID: 43244733

CALCULATED PROPERTIES

• Acid pKa: 13.075835
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8086999
• LogD (pH = 7.4): -0.80801606
• Log P: -0.8080065
• Molar Refractivity: 49.7774 cm^3
• Polarizability: 18.363735 Å^3
• Polar Surface Area: 94.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.343

Product Information

• Purity: 95%