5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C19H12F3N3O2S — CID 71794433

IUPAC5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3ccsc3)no2)cn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3N3O2S/c20-19(21,22)15-4-2-1-3-12(15)9-25-10-13(5-6-16(25)26)18-23-17(24-27-18)14-7-8-28-11-14/h1-8,10-11H,9H2
InChIKeyBIQOKQZQKWMBSJ-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.69
Rot. Bonds4

About 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one

5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 71794433) has the molecular formula C19H12F3N3O2S and a molecular weight of 403.39 g/mol. Its IUPAC name is 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID71794433
Molecular FormulaC19H12F3N3O2S
Molecular Weight403.39 g/mol
Exact Mass403.06
IUPAC Name5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3ccsc3)no2)cn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3N3O2S/c20-19(21,22)15-4-2-1-3-12(15)9-25-10-13(5-6-16(25)26)18-23-17(24-27-18)14-7-8-28-11-14/h1-8,10-11H,9H2
InChIKeyBIQOKQZQKWMBSJ-UHFFFAOYSA-N
XLogP4.69
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 71794433) is 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1ccc(-c2nc(-c3ccsc3)no2)cn1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is BIQOKQZQKWMBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2S/c20-19(21,22)15-4-2-1-3-12(15)9-25-10-13(5-6-16(25)26)18-23-17(24-27-18)14-7-8-28-11-14/h1-8,10-11H,9H2.
What are the key properties of 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 403.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 71794433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).