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

• ChemBase ID: 65567
• Molecular Formular: C13H19BrN2OSi
• Molecular Mass: 327.29226
• Monoisotopic Mass: 326.04500177
• SMILES: c1(cnc(c2c1oc(n2)C(C)(C)C)Br)[Si](C)(C)C
• Canonical SMILES: Brc1ncc(c2c1nc(o2)C(C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C13H19BrN2OSi/c1-13(2,3)12-16-9-10(17-12)8(18(4,5)6)7-15-11(9)14/h7H,1-6H3
• InChIKey: LNJWYCVLOBKPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20487052
• PubChem SID: 162031306
• PubChem CID: 71299082

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0241
• LogD (pH = 7.4): 5.0241
• Log P: 5.0241
• Molar Refractivity: 73.2379 cm^3
• Polarizability: 31.472698 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