(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide

• ChemBase ID: 265688
• Molecular Formular: C10H10N2O3S
• Molecular Mass: 238.263
• Monoisotopic Mass: 238.04121319
• SMILES: S(=O)(=O)(Cc1cc(no1)c1ccccc1)N
• Canonical SMILES: NS(=O)(=O)Cc1onc(c1)c1ccccc1
• InChI: InChI=1S/C10H10N2O3S/c11-16(13,14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,13,14)
• InChIKey: SPHHAYOEPFFFFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
• IUPAC Traditional name: (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
• Synonyms: (3-phenyl-1,2-oxazol-5-yl)methanesulfonamide

Database IDs

• MDL Number: MFCD19982330
• PubChem SID: 164321598
• PubChem CID: 54592547

CALCULATED PROPERTIES

• Acid pKa: 9.427596
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6589892
• LogD (pH = 7.4): 0.655443
• Log P: 0.659035
• Molar Refractivity: 58.887 cm^3
• Polarizability: 24.42018 Å^3
• Polar Surface Area: 86.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.351

Product Information

• Purity: 95%