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

C5H4F3NO2 — CID 118466345

IUPAC5-methyl-3-(trifluoromethoxy)-1,2-oxazole
SMILESCc1cc(OC(F)(F)F)no1
InChIInChI=1S/C5H4F3NO2/c1-3-2-4(9-11-3)10-5(6,7)8/h2H,1H3
InChIKeyDOUFPKZMZNMMBK-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.88
Rot. Bonds1

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

5-methyl-3-(trifluoromethoxy)-1,2-oxazole (PubChem CID 118466345) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethoxy)-1,2-oxazole
PubChem CID118466345
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name5-methyl-3-(trifluoromethoxy)-1,2-oxazole
SMILESCc1cc(OC(F)(F)F)no1
InChIInChI=1S/C5H4F3NO2/c1-3-2-4(9-11-3)10-5(6,7)8/h2H,1H3
InChIKeyDOUFPKZMZNMMBK-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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Related Compounds

5-Methylisoxazol-3-yl dimethylcarbamate
CID 12467789
3-Methoxy-5-isoxazolemethanamine
CID 2763227
5-(Chloromethyl)-3-methoxy-1,2-oxazole
CID 10080543
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
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-(Chloromethyl)-3-(1,1,2-trifluoroethoxy)-1,2-oxazole
CID 67770310
4-Fluoro-3-methoxy-5-methyl-1,2-oxazole
CID 69972479

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethoxy)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(trifluoromethoxy)-1,2-oxazole (CID 118466345) is 5-methyl-3-(trifluoromethoxy)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(trifluoromethoxy)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(trifluoromethoxy)-1,2-oxazole is Cc1cc(OC(F)(F)F)no1.
What is the InChIKey of 5-methyl-3-(trifluoromethoxy)-1,2-oxazole?
The InChIKey is DOUFPKZMZNMMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c1-3-2-4(9-11-3)10-5(6,7)8/h2H,1H3.
What are the key properties of 5-methyl-3-(trifluoromethoxy)-1,2-oxazole?
5-methyl-3-(trifluoromethoxy)-1,2-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-3-(trifluoromethoxy)-1,2-oxazole is sourced from PubChem (CID 118466345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).