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

C16H21BrF3NO3Si — CID 155744104

IUPAC2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C16H21BrF3NO3Si/c1-25(2,3)9-8-22-11-23-15(16(18,19)20)10-14(21-24-15)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyPLFBEBPIVYOZEI-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.16
Rot. Bonds7

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

2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 155744104) has the molecular formula C16H21BrF3NO3Si and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID155744104
Molecular FormulaC16H21BrF3NO3Si
Molecular Weight440.33 g/mol
Exact Mass439.04
IUPAC Name2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C16H21BrF3NO3Si/c1-25(2,3)9-8-22-11-23-15(16(18,19)20)10-14(21-24-15)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyPLFBEBPIVYOZEI-UHFFFAOYSA-N
XLogP5.16
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane (CID 155744104) is 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOC1(C(F)(F)F)CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is PLFBEBPIVYOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF3NO3Si/c1-25(2,3)9-8-22-11-23-15(16(18,19)20)10-14(21-24-15)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3.
What are the key properties of 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 440.33 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 155744104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).