3,5-dimethyl-4-(tributylstannyl)-1,2-oxazole

• ChemBase ID: 64228
• Molecular Formular: C17H33NOSn
• Molecular Mass: 386.15102
• Monoisotopic Mass: 387.15840868
• SMILES: c1(c(onc1C)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1c(C)noc1C)(CCCC)CCCC
• InChI: InChI=1S/C5H6NO.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3
• InChIKey: PKYSINBSZIXTHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-4-(tributylstannyl)-1,2-oxazole
• IUPAC Traditional name: 3,5-dimethyl-4-(tributylstannyl)-1,2-oxazole
• Synonyms: 3,5-Dimethyl-4-(tributylstannyl)isoxazole

Database IDs

• CAS Number: 136295-80-2
• MDL Number: MFCD01318973
• PubChem SID: 162029967
• PubChem CID: 15062215

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8206701
• LogD (pH = 7.4): 3.8207984
• Log P: 3.8208
• Molar Refractivity: 85.0732 cm^3
• Polarizability: 37.30497 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 95%