5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

C11H15F5N4O — CID 104632879

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C(F)(F)C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C11H15F5N4O/c1-2-7(20-5-3-17-4-6-20)8-18-9(21-19-8)10(12,13)11(14,15)16/h7,17H,2-6H2,1H3
InChIKeyPZBPZWSYYMCWNP-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.08
Rot. Bonds4

About 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 104632879) has the molecular formula C11H15F5N4O and a molecular weight of 314.26 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID104632879
Molecular FormulaC11H15F5N4O
Molecular Weight314.26 g/mol
Exact Mass314.12
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C(F)(F)C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C11H15F5N4O/c1-2-7(20-5-3-17-4-6-20)8-18-9(21-19-8)10(12,13)11(14,15)16/h7,17H,2-6H2,1H3
InChIKeyPZBPZWSYYMCWNP-UHFFFAOYSA-N
XLogP2.08
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342938
5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343286
5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976
5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342891
5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 107182956
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
5-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 165438932
2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
CID 171279886
3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 102922597
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (CID 104632879) is 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is CCC(c1noc(C(F)(F)C(F)(F)F)n1)N1CCNCC1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is PZBPZWSYYMCWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5N4O/c1-2-7(20-5-3-17-4-6-20)8-18-9(21-19-8)10(12,13)11(14,15)16/h7,17H,2-6H2,1H3.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 314.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104632879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).