5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

C12H18F3N3O2 — CID 79954049

IUPAC5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)5-1-10-17-11(20-18-10)4-8-19-9-2-6-16-7-3-9/h9,16H,1-8H2
InChIKeyPKAHAIORXIDADM-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.88
Rot. Bonds6

About 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 79954049) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID79954049
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)5-1-10-17-11(20-18-10)4-8-19-9-2-6-16-7-3-9/h9,16H,1-8H2
InChIKeyPKAHAIORXIDADM-UHFFFAOYSA-N
XLogP1.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 79954049) is 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc(CCOC2CCNCC2)n1.
What is the InChIKey of 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is PKAHAIORXIDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)5-1-10-17-11(20-18-10)4-8-19-9-2-6-16-7-3-9/h9,16H,1-8H2.
What are the key properties of 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 293.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-yloxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79954049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).