5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole

C8H4F3NOS — CID 91467460

IUPAC5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2cccs2)on1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)7-4-5(13-12-7)6-2-1-3-14-6/h1-4H
InChIKeyOKYFOQJOLIJILG-UHFFFAOYSA-N
MW219.19 g/mol
LogP3.42
Rot. Bonds1

About 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole

5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 91467460) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID91467460
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2cccs2)on1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)7-4-5(13-12-7)6-2-1-3-14-6/h1-4H
InChIKeyOKYFOQJOLIJILG-UHFFFAOYSA-N
XLogP3.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole (CID 91467460) is 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is OKYFOQJOLIJILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)7-4-5(13-12-7)6-2-1-3-14-6/h1-4H.
What are the key properties of 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole?
5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 219.19 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 91467460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).