4-bromo-2-tert-butyl-6-iodo-7-(trimethylsilyl)-[1,3]oxazolo[4,5-c]pyridine

• ChemBase ID: 65572
• Molecular Formular: C13H18BrIN2OSi
• Molecular Mass: 453.18879
• Monoisotopic Mass: 451.94164974
• SMILES: c1(nc(c2c(c1[Si](C)(C)C)oc(n2)C(C)(C)C)Br)I
• Canonical SMILES: Ic1nc(Br)c2c(c1[Si](C)(C)C)oc(n2)C(C)(C)C
• InChI: InChI=1S/C13H18BrIN2OSi/c1-13(2,3)12-16-7-8(18-12)9(19(4,5)6)11(15)17-10(7)14/h1-6H3
• InChIKey: HJMKIKRLZICYST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-tert-butyl-6-iodo-7-(trimethylsilyl)-[1,3]oxazolo[4,5-c]pyridine
• IUPAC Traditional name: 4-bromo-2-tert-butyl-6-iodo-7-(trimethylsilyl)-[1,3]oxazolo[4,5-c]pyridine
• Synonyms: 4-Bromo-2-(tert-butyl)-6-iodo-7-(trimethylsilyl)-oxazolo[4,5-c]pyridine; 4-Bromo-2-(tert-butyl)-6-iodo-7-(trimethylsilyl)oxazolo[4,5-c]pyridine

Database IDs

• MDL Number: MFCD20487058
• PubChem SID: 162031311
• PubChem CID: 71299086

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.2119
• LogD (pH = 7.4): 6.2119
• Log P: 6.2119
• Molar Refractivity: 86.3085 cm^3
• Polarizability: 36.832153 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false