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

• ChemBase ID: 282671
• Molecular Formular: C5H8N2O3S
• Molecular Mass: 176.19362
• Monoisotopic Mass: 176.02556313
• SMILES: S(=O)(=O)(Cc1noc(c1)C)N
• Canonical SMILES: Cc1onc(c1)CS(=O)(=O)N
• InChI: InChI=1S/C5H8N2O3S/c1-4-2-5(7-10-4)3-11(6,8)9/h2H,3H2,1H3,(H2,6,8,9)
• InChIKey: SLRNOCFPPZPYNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11172474
• PubChem SID: 180668202
• PubChem CID: 28788245

CALCULATED PROPERTIES

• Acid pKa: 9.703826
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.70865524
• LogD (pH = 7.4): -0.71053636
• Log P: -0.70863014
• Molar Refractivity: 39.1204 cm^3
• Polarizability: 15.407366 Å^3
• Polar Surface Area: 86.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.478

Product Information

• Purity: 95%