2-methyl-5-phenyl-1,3-oxazole-4-sulfonyl chloride

• ChemBase ID: 243951
• Molecular Formular: C10H8ClNO3S
• Molecular Mass: 257.69342
• Monoisotopic Mass: 256.9913418
• SMILES: c1(S(=O)(=O)Cl)nc(oc1c1ccccc1)C
• Canonical SMILES: Cc1oc(c(n1)S(=O)(=O)Cl)c1ccccc1
• InChI: InChI=1S/C10H8ClNO3S/c1-7-12-10(16(11,13)14)9(15-7)8-5-3-2-4-6-8/h2-6H,1H3
• InChIKey: ROODCHXNTOMKDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-phenyl-1,3-oxazole-4-sulfonyl chloride
• IUPAC Traditional name: 2-methyl-5-phenyl-1,3-oxazole-4-sulfonyl chloride
• Synonyms: 2-methyl-5-phenyl-1,3-oxazole-4-sulfonyl chloride

Database IDs

• MDL Number: MFCD23143997
• PubChem SID: 164299861
• PubChem CID: 71668607

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.146189
• LogD (pH = 7.4): 2.146189
• Log P: 2.146189
• Molar Refractivity: 60.7295 cm^3
• Polarizability: 25.107239 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.216

Product Information

• Purity: 95%