2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone

C15H14F3N3O3S — CID 155192945

IUPAC2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone
SMILESO=C(CS(=O)C1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)14-20-13(21-24-14)9-5-6-11(19-7-9)12(22)8-25(23)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyDSSJUDRVKDKGAW-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.02
Rot. Bonds5

About 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone

2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone (PubChem CID 155192945) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone
PubChem CID155192945
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone
SMILESO=C(CS(=O)C1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)14-20-13(21-24-14)9-5-6-11(19-7-9)12(22)8-25(23)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyDSSJUDRVKDKGAW-UHFFFAOYSA-N
XLogP3.02
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone with MolForge

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Related Compounds

1-(5-methyl-2-pyridinyl)-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 176889416
N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide
CID 155193211
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide
CID 137366430
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
cyclobutyl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491592
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
3-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 159589832
1-cyclobutyl-3-ethyl-1-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521164
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone?
The IUPAC name of 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone (CID 155192945) is 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone is O=C(CS(=O)C1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone?
The InChIKey is DSSJUDRVKDKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c16-15(17,18)14-20-13(21-24-14)9-5-6-11(19-7-9)12(22)8-25(23)10-3-1-2-4-10/h5-7,10H,1-4,8H2.
What are the key properties of 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone?
2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone has a molecular weight of 373.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 155192945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).