2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone

C13H6F3N3O2S — CID 44562766

IUPAC2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3ccccn3)no2)s1)C(F)(F)F
InChIInChI=1S/C13H6F3N3O2S/c14-13(15,16)10(20)8-4-5-9(22-8)12-18-11(19-21-12)7-3-1-2-6-17-7/h1-6H
InChIKeyUWMKQNCALZOYBT-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.61
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone (PubChem CID 44562766) has the molecular formula C13H6F3N3O2S and a molecular weight of 325.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
PubChem CID44562766
Molecular FormulaC13H6F3N3O2S
Molecular Weight325.27 g/mol
Exact Mass325.01
IUPAC Name2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3ccccn3)no2)s1)C(F)(F)F
InChIInChI=1S/C13H6F3N3O2S/c14-13(15,16)10(20)8-4-5-9(22-8)12-18-11(19-21-12)7-3-1-2-6-17-7/h1-6H
InChIKeyUWMKQNCALZOYBT-UHFFFAOYSA-N
XLogP3.61
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone (CID 44562766) is 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone is O=C(c1ccc(-c2nc(-c3ccccn3)no2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The InChIKey is UWMKQNCALZOYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O2S/c14-13(15,16)10(20)8-4-5-9(22-8)12-18-11(19-21-12)7-3-1-2-6-17-7/h1-6H.
What are the key properties of 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone has a molecular weight of 325.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 44562766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).