2-methyl-4-(trifluoromethoxy)-1,3-oxazole

C5H4F3NO2 — CID 118466321

IUPAC2-methyl-4-(trifluoromethoxy)-1,3-oxazole
SMILESCc1nc(OC(F)(F)F)co1
InChIInChI=1S/C5H4F3NO2/c1-3-9-4(2-10-3)11-5(6,7)8/h2H,1H3
InChIKeyVSALPCGXGBGMDH-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.88
Rot. Bonds1

About 2-methyl-4-(trifluoromethoxy)-1,3-oxazole

2-methyl-4-(trifluoromethoxy)-1,3-oxazole (PubChem CID 118466321) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethoxy)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethoxy)-1,3-oxazole
PubChem CID118466321
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name2-methyl-4-(trifluoromethoxy)-1,3-oxazole
SMILESCc1nc(OC(F)(F)F)co1
InChIInChI=1S/C5H4F3NO2/c1-3-9-4(2-10-3)11-5(6,7)8/h2H,1H3
InChIKeyVSALPCGXGBGMDH-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 2-methyl-4-(trifluoromethoxy)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(trifluoromethoxy)-1,3-oxazole (CID 118466321) is 2-methyl-4-(trifluoromethoxy)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(trifluoromethoxy)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(trifluoromethoxy)-1,3-oxazole is Cc1nc(OC(F)(F)F)co1.
What is the InChIKey of 2-methyl-4-(trifluoromethoxy)-1,3-oxazole?
The InChIKey is VSALPCGXGBGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c1-3-9-4(2-10-3)11-5(6,7)8/h2H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethoxy)-1,3-oxazole?
2-methyl-4-(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 2-methyl-4-(trifluoromethoxy)-1,3-oxazole is sourced from PubChem (CID 118466321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).