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

C10H14F3N3O2 — CID 63871384

IUPAC5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(COC2CCNCC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)5-8-15-9(18-16-8)6-17-7-1-3-14-4-2-7/h7,14H,1-6H2
InChIKeyRGZOSEWTDVFUDD-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.44
Rot. Bonds4

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

5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 63871384) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID63871384
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(COC2CCNCC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)5-8-15-9(18-16-8)6-17-7-1-3-14-4-2-7/h7,14H,1-6H2
InChIKeyRGZOSEWTDVFUDD-UHFFFAOYSA-N
XLogP1.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 63871384) is 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(COC2CCNCC2)n1.
What is the InChIKey of 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is RGZOSEWTDVFUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)5-8-15-9(18-16-8)6-17-7-1-3-14-4-2-7/h7,14H,1-6H2.
What are the key properties of 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 265.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-yloxymethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63871384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).