tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane

C19H32FNO2SiSn — CID 59749488

IUPACtert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(c2ccc([Sn](C)(C)C)c(F)c2)=NO1
InChIInChI=1S/C16H23FNO2Si.3CH3.Sn/c1-16(2,3)21(4,5)19-11-14-10-15(18-20-14)12-7-6-8-13(17)9-12;;;;/h6-7,9,14H,10-11H2,1-5H3;3*1H3;
InChIKeyNKKYPXAAKOWVSE-UHFFFAOYSA-N
MW472.27 g/mol
LogP4.89
Rot. Bonds5

About tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane

tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane (PubChem CID 59749488) has the molecular formula C19H32FNO2SiSn and a molecular weight of 472.27 g/mol. Its IUPAC name is tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane
PubChem CID59749488
Molecular FormulaC19H32FNO2SiSn
Molecular Weight472.27 g/mol
Exact Mass473.12
IUPAC Nametert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(c2ccc([Sn](C)(C)C)c(F)c2)=NO1
InChIInChI=1S/C16H23FNO2Si.3CH3.Sn/c1-16(2,3)21(4,5)19-11-14-10-15(18-20-14)12-7-6-8-13(17)9-12;;;;/h6-7,9,14H,10-11H2,1-5H3;3*1H3;
InChIKeyNKKYPXAAKOWVSE-UHFFFAOYSA-N
XLogP4.89
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane (CID 59749488) is tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CC(c2ccc([Sn](C)(C)C)c(F)c2)=NO1.
What is the InChIKey of tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
The InChIKey is NKKYPXAAKOWVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FNO2Si.3CH3.Sn/c1-16(2,3)21(4,5)19-11-14-10-15(18-20-14)12-7-6-8-13(17)9-12;;;;/h6-7,9,14H,10-11H2,1-5H3;3*1H3;.
What are the key properties of tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane has a molecular weight of 472.27 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(3-fluoro-4-trimethylstannylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 59749488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).