1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone

C11H8F3NO2S — CID 25212115

IUPAC1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2noc(C(F)(F)F)c2C)s1
InChIInChI=1S/C11H8F3NO2S/c1-5-9(15-17-10(5)11(12,13)14)8-4-3-7(18-8)6(2)16/h3-4H,1-2H3
InChIKeyJDAMDRNXUMKMTJ-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.93
Rot. Bonds2

About 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone

1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone (PubChem CID 25212115) has the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol. Its IUPAC name is 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone
PubChem CID25212115
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Exact Mass275.02
IUPAC Name1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2noc(C(F)(F)F)c2C)s1
InChIInChI=1S/C11H8F3NO2S/c1-5-9(15-17-10(5)11(12,13)14)8-4-3-7(18-8)6(2)16/h3-4H,1-2H3
InChIKeyJDAMDRNXUMKMTJ-UHFFFAOYSA-N
XLogP3.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone (CID 25212115) is 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2noc(C(F)(F)F)c2C)s1.
What is the InChIKey of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone?
The InChIKey is JDAMDRNXUMKMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S/c1-5-9(15-17-10(5)11(12,13)14)8-4-3-7(18-8)6(2)16/h3-4H,1-2H3.
What are the key properties of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone?
1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone has a molecular weight of 275.25 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 25212115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).