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

C5H4F3NO2 — CID 118466181

IUPAC5-methyl-2-(trifluoromethoxy)-1,3-oxazole
SMILESCc1cnc(OC(F)(F)F)o1
InChIInChI=1S/C5H4F3NO2/c1-3-2-9-4(10-3)11-5(6,7)8/h2H,1H3
InChIKeyIJRUNWNJNUVWSJ-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.88
Rot. Bonds1

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

5-methyl-2-(trifluoromethoxy)-1,3-oxazole (PubChem CID 118466181) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethoxy)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethoxy)-1,3-oxazole
PubChem CID118466181
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name5-methyl-2-(trifluoromethoxy)-1,3-oxazole
SMILESCc1cnc(OC(F)(F)F)o1
InChIInChI=1S/C5H4F3NO2/c1-3-2-9-4(10-3)11-5(6,7)8/h2H,1H3
InChIKeyIJRUNWNJNUVWSJ-UHFFFAOYSA-N
XLogP1.88
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethoxy)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(trifluoromethoxy)-1,3-oxazole (CID 118466181) is 5-methyl-2-(trifluoromethoxy)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(trifluoromethoxy)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(trifluoromethoxy)-1,3-oxazole is Cc1cnc(OC(F)(F)F)o1.
What is the InChIKey of 5-methyl-2-(trifluoromethoxy)-1,3-oxazole?
The InChIKey is IJRUNWNJNUVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c1-3-2-9-4(10-3)11-5(6,7)8/h2H,1H3.
What are the key properties of 5-methyl-2-(trifluoromethoxy)-1,3-oxazole?
5-methyl-2-(trifluoromethoxy)-1,3-oxazole has a molecular weight of 167.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethoxy)-1,3-oxazole is sourced from PubChem (CID 118466181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).