5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C11H16F3N3O — CID 55049231

IUPAC5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-9-16-10(18-17-9)2-1-8-3-5-15-6-4-8/h8,15H,1-7H2
InChIKeyRSZZIDFMQREBQQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.11
Rot. Bonds4

About 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 55049231) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID55049231
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-9-16-10(18-17-9)2-1-8-3-5-15-6-4-8/h8,15H,1-7H2
InChIKeyRSZZIDFMQREBQQ-UHFFFAOYSA-N
XLogP2.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 55049231) is 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(CCC2CCNCC2)n1.
What is the InChIKey of 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is RSZZIDFMQREBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)7-9-16-10(18-17-9)2-1-8-3-5-15-6-4-8/h8,15H,1-7H2.
What are the key properties of 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 263.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55049231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).