5-hydrazinyl-2-phenyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 238070
• Molecular Formular: C10H10N4O2
• Molecular Mass: 218.212
• Monoisotopic Mass: 218.08037558
• SMILES: c1(nc(oc1NN)c1ccccc1)C(=O)N
• Canonical SMILES: NNc1oc(nc1C(=O)N)c1ccccc1
• InChI: InChI=1S/C10H10N4O2/c11-8(15)7-10(14-12)16-9(13-7)6-4-2-1-3-5-6/h1-5,14H,12H2,(H2,11,15)
• InChIKey: ALOYFMPGPNOSTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinyl-2-phenyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-hydrazinyl-2-phenyl-1,3-oxazole-4-carboxamide
• Synonyms: 5-hydrazinyl-2-phenyl-1,3-oxazole-4-carboxamide

Database IDs

• MDL Number: MFCD22421766
• PubChem SID: 164293980
• PubChem CID: 60174057

CALCULATED PROPERTIES

• Acid pKa: 14.109874
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.7734244
• LogD (pH = 7.4): 0.77518773
• Log P: 1.3073317
• Molar Refractivity: 69.5354 cm^3
• Polarizability: 22.01156 Å^3
• Polar Surface Area: 107.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 1.567

Product Information

• Purity: 95%