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

C23H24F3N5O2S — CID 71780521

IUPAC2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCN(c3ccc(-c4noc(C(F)(F)F)n4)cn3)CC2)cc1
InChIInChI=1S/C23H24F3N5O2S/c1-15(2)34-18-6-3-16(4-7-18)13-20(32)31-11-9-30(10-12-31)19-8-5-17(14-27-19)21-28-22(33-29-21)23(24,25)26/h3-8,14-15H,9-13H2,1-2H3
InChIKeyZEYVAMMOWFRYRP-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.54
Rot. Bonds6

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

2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 71780521) has the molecular formula C23H24F3N5O2S and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID71780521
Molecular FormulaC23H24F3N5O2S
Molecular Weight491.54 g/mol
Exact Mass491.16
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCN(c3ccc(-c4noc(C(F)(F)F)n4)cn3)CC2)cc1
InChIInChI=1S/C23H24F3N5O2S/c1-15(2)34-18-6-3-16(4-7-18)13-20(32)31-11-9-30(10-12-31)19-8-5-17(14-27-19)21-28-22(33-29-21)23(24,25)26/h3-8,14-15H,9-13H2,1-2H3
InChIKeyZEYVAMMOWFRYRP-UHFFFAOYSA-N
XLogP4.54
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 71780521) is 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(C)Sc1ccc(CC(=O)N2CCN(c3ccc(-c4noc(C(F)(F)F)n4)cn3)CC2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is ZEYVAMMOWFRYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2S/c1-15(2)34-18-6-3-16(4-7-18)13-20(32)31-11-9-30(10-12-31)19-8-5-17(14-27-19)21-28-22(33-29-21)23(24,25)26/h3-8,14-15H,9-13H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 491.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71780521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).