3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C18H23F3N4O — CID 134052552

IUPAC3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H23F3N4O/c1-3-16-22-17(26-23-16)13(2)25-9-7-24(8-10-25)12-14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyRPTRKMKSQOQOMX-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.53
Rot. Bonds5

About 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 134052552) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID134052552
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H23F3N4O/c1-3-16-22-17(26-23-16)13(2)25-9-7-24(8-10-25)12-14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyRPTRKMKSQOQOMX-UHFFFAOYSA-N
XLogP3.53
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-[1-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 60512779
3-[[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]benzonitrile
CID 56684754
2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895225
(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
CID 95299369
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
methyl 4-[[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]benzoate
CID 60512684
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752538
2-(4-nitrophenyl)-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46614929
(1S)-2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylethanol
CID 95315467

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 134052552) is 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is RPTRKMKSQOQOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-3-16-22-17(26-23-16)13(2)25-9-7-24(8-10-25)12-14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,3,7-10,12H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 368.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134052552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).