5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole

C20H20F3N3O3S2 — CID 53057119

IUPAC5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
SMILESCc1sc(C)c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1-c1ccno1
InChIInChI=1S/C20H20F3N3O3S2/c1-13-18(17-6-7-24-29-17)19(14(2)30-13)31(27,28)26-10-8-25(9-11-26)16-5-3-4-15(12-16)20(21,22)23/h3-7,12H,8-11H2,1-2H3
InChIKeyGTCIFTKUUPPJPL-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.55
Rot. Bonds4

About 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole

5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole (PubChem CID 53057119) has the molecular formula C20H20F3N3O3S2 and a molecular weight of 471.53 g/mol. Its IUPAC name is 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
PubChem CID53057119
Molecular FormulaC20H20F3N3O3S2
Molecular Weight471.53 g/mol
Exact Mass471.09
IUPAC Name5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
SMILESCc1sc(C)c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1-c1ccno1
InChIInChI=1S/C20H20F3N3O3S2/c1-13-18(17-6-7-24-29-17)19(14(2)30-13)31(27,28)26-10-8-25(9-11-26)16-5-3-4-15(12-16)20(21,22)23/h3-7,12H,8-11H2,1-2H3
InChIKeyGTCIFTKUUPPJPL-UHFFFAOYSA-N
XLogP4.55
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19682890
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1-(4-fluoro-3-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 100695438
1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 50842835
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CID 3810711
1-(2,4,5-trichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3286417
1-[4-[4-[2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophen-3-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
CID 53057230
5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 53092063
1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 43909753
1-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 100772328
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylisoindole-1,3-dione
CID 56561984
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
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Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
The IUPAC name of 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole (CID 53057119) is 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
The canonical SMILES for 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole is Cc1sc(C)c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1-c1ccno1.
What is the InChIKey of 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
The InChIKey is GTCIFTKUUPPJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3S2/c1-13-18(17-6-7-24-29-17)19(14(2)30-13)31(27,28)26-10-8-25(9-11-26)16-5-3-4-15(12-16)20(21,22)23/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole?
5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole has a molecular weight of 471.53 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole is sourced from PubChem (CID 53057119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).