[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C20H25F3N4O2 — CID 55627267

IUPAC[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H25F3N4O2/c1-13(16-24-18(25-29-16)19(2,3)4)26-9-11-27(12-10-26)17(28)14-7-5-6-8-15(14)20(21,22)23/h5-8,13H,9-12H2,1-4H3
InChIKeyVJFHWFXXKZPLHG-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.90
Rot. Bonds3

About [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 55627267) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID55627267
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H25F3N4O2/c1-13(16-24-18(25-29-16)19(2,3)4)26-9-11-27(12-10-26)17(28)14-7-5-6-8-15(14)20(21,22)23/h5-8,13H,9-12H2,1-4H3
InChIKeyVJFHWFXXKZPLHG-UHFFFAOYSA-N
XLogP3.90
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46568147
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one
CID 38590366
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 78901823
3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37201829
[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 86993489
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121098510
methyl (2R)-2-[4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 51878850
N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide
CID 46406003
[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 35197509
[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174557478
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 55627267) is [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CC(c1nc(C(C)(C)C)no1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is VJFHWFXXKZPLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-13(16-24-18(25-29-16)19(2,3)4)26-9-11-27(12-10-26)17(28)14-7-5-6-8-15(14)20(21,22)23/h5-8,13H,9-12H2,1-4H3.
What are the key properties of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 410.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 55627267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).