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

C10H14F3N3O2 — CID 82007800

IUPAC5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)9-15-8(18-16-9)3-6-17-7-1-4-14-5-2-7/h7,14H,1-6H2
InChIKeyNKXNNAMJROWYJG-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.40
Rot. Bonds4

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

5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 82007800) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID82007800
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CCOC2CCNCC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)9-15-8(18-16-9)3-6-17-7-1-4-14-5-2-7/h7,14H,1-6H2
InChIKeyNKXNNAMJROWYJG-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 82007800) is 5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(CCOC2CCNCC2)n1.
What is the InChIKey of 5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is NKXNNAMJROWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)9-15-8(18-16-9)3-6-17-7-1-4-14-5-2-7/h7,14H,1-6H2.
What are the key properties of 5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 265.23 g/mol, XLogP of 1.40, 4 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-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82007800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).