[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane

C13H15BrF3NO2Si — CID 155744113

IUPAC[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C13H15BrF3NO2Si/c1-21(2,3)20-12(13(15,16)17)8-11(18-19-12)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3
InChIKeyUAWZMORUWGDEJN-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.68
Rot. Bonds3

About [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane

[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane (PubChem CID 155744113) has the molecular formula C13H15BrF3NO2Si and a molecular weight of 382.25 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
PubChem CID155744113
Molecular FormulaC13H15BrF3NO2Si
Molecular Weight382.25 g/mol
Exact Mass381.00
IUPAC Name[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C13H15BrF3NO2Si/c1-21(2,3)20-12(13(15,16)17)8-11(18-19-12)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3
InChIKeyUAWZMORUWGDEJN-UHFFFAOYSA-N
XLogP4.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.68
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 [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
The IUPAC name of [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane (CID 155744113) is [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
The canonical SMILES for [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane is C[Si](C)(C)OC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
The InChIKey is UAWZMORUWGDEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO2Si/c1-21(2,3)20-12(13(15,16)17)8-11(18-19-12)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane has a molecular weight of 382.25 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 155744113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).