3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C8H6F3NO2S — CID 616925

IUPAC3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2cccs2)=NO1
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)7(13)4-5(12-14-7)6-2-1-3-15-6/h1-3,13H,4H2
InChIKeyWJPBGIHUZWQXOV-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.12
Rot. Bonds1

About 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 616925) has the molecular formula C8H6F3NO2S and a molecular weight of 237.20 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID616925
Molecular FormulaC8H6F3NO2S
Molecular Weight237.20 g/mol
Exact Mass237.01
IUPAC Name3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2cccs2)=NO1
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)7(13)4-5(12-14-7)6-2-1-3-15-6/h1-3,13H,4H2
InChIKeyWJPBGIHUZWQXOV-UHFFFAOYSA-N
XLogP2.12
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 616925) is 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2cccs2)=NO1.
What is the InChIKey of 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is WJPBGIHUZWQXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2S/c9-8(10,11)7(13)4-5(12-14-7)6-2-1-3-15-6/h1-3,13H,4H2.
What are the key properties of 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 237.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 616925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).