5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole

C6H6F3NO2 — CID 90278805

IUPAC5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
SMILESCc1cc(OCC(F)(F)F)no1
InChIInChI=1S/C6H6F3NO2/c1-4-2-5(10-12-4)11-3-6(7,8)9/h2H,3H2,1H3
InChIKeyFIVGCDLNSJPHAA-UHFFFAOYSA-N
MW181.11 g/mol
LogP1.92
Rot. Bonds2

About 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole

5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole (PubChem CID 90278805) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
PubChem CID90278805
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
SMILESCc1cc(OCC(F)(F)F)no1
InChIInChI=1S/C6H6F3NO2/c1-4-2-5(10-12-4)11-3-6(7,8)9/h2H,3H2,1H3
InChIKeyFIVGCDLNSJPHAA-UHFFFAOYSA-N
XLogP1.92
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-Methyl-1,2-oxazol-3-yl)oxy]acetic acid
CID 4962137
Trimethyl-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]but-2-ynyl]azanium iodide
CID 44437242
5-(Bromomethyl)-3-methoxy-1,2-oxazole
CID 10845405
5-Methyl-3-(prop-2-yn-1-yloxy)isoxazole
CID 85975236
3-Methoxy-5-methylisoxazole
CID 11768539
3-But-2-ynoxy-5-methyl-1,2-oxazole
CID 90940069
5-(Chloromethyl)-3-(trifluoromethoxy)-1,2-oxazole
CID 21698282
[3-(1,1,2,2-Tetrafluoroethoxy)isoxazol-5-yl]methanol
CID 22261992
5-(Chloromethyl)-3-(1,2,2-trifluoroethoxy)-1,2-oxazole
CID 23367087
5-(Chloromethyl)-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 54042641
5-Tert-butyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 59709219
5-(Chloromethyl)-3-(1,1,2-trifluoroethoxy)-1,2-oxazole
CID 67770310

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole (CID 90278805) is 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole is Cc1cc(OCC(F)(F)F)no1.
What is the InChIKey of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole?
The InChIKey is FIVGCDLNSJPHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c1-4-2-5(10-12-4)11-3-6(7,8)9/h2H,3H2,1H3.
What are the key properties of 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole?
5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole has a molecular weight of 181.11 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole is sourced from PubChem (CID 90278805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).