5-(furan-2-yl)-1,2-oxazole-3-carbohydrazide

• ChemBase ID: 37904
• Molecular Formular: C8H7N3O3
• Molecular Mass: 193.15948
• Monoisotopic Mass: 193.0487411
• SMILES: c1(cc(on1)c1occc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1noc(c1)c1ccco1
• InChI: InChI=1S/C8H7N3O3/c9-10-8(12)5-4-7(14-11-5)6-2-1-3-13-6/h1-4H,9H2,(H,10,12)
• InChIKey: YAVAKNCPWSSNOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-yl)-1,2-oxazole-3-carbohydrazide
• IUPAC Traditional name: 5-(furan-2-yl)-1,2-oxazole-3-carbohydrazide
• Synonyms: 5-(2-Furyl)isoxazole-3-carbohydrazide

Database IDs

• CAS Number: 90110-76-2
• MDL Number: MFCD05861725
• PubChem SID: 161001211
• PubChem CID: 7018689

CALCULATED PROPERTIES

• Acid pKa: 12.145371
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.09514643
• LogD (pH = 7.4): -0.09473301
• Log P: -0.09472073
• Molar Refractivity: 48.0951 cm^3
• Polarizability: 18.474297 Å^3
• Polar Surface Area: 94.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false