2-(triethylstannyl)-1,3-oxazole

• ChemBase ID: 803995
• Molecular Formular: C9H17NOSn
• Molecular Mass: 273.93838
• Monoisotopic Mass: 275.03320817
• SMILES: o1c(ncc1)[Sn](CC)(CC)CC
• Canonical SMILES: CC[Sn](c1ncco1)(CC)CC
• InChI: InChI=1S/C3H2NO.3C2H5.Sn/c1-2-5-3-4-1;3*1-2;/h1-2H;3*1H2,2H3
• InChIKey: QLINIYOQQQFTAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(triethylstannyl)-1,3-oxazole
• IUPAC Traditional name: 2-(triethylstannyl)-1,3-oxazole
• Synonyms: 2-(TRIETHYLSTANNYL)OXAZOLE

Database IDs

• CAS Number: 156780-51-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3289381
• LogD (pH = 7.4): 1.3289992
• Log P: 1.329
• Molar Refractivity: 46.6977 cm^3
• Polarizability: 22.889652 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%