5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C14H17FN4O — CID 79720202

IUPAC5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccc(F)cn3)no2)CCNCC1
InChIInChI=1S/C14H17FN4O/c1-2-14(5-7-16-8-6-14)13-18-12(19-20-13)11-4-3-10(15)9-17-11/h3-4,9,16H,2,5-8H2,1H3
InChIKeyXQMXPHDBYUGVOT-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.30
Rot. Bonds3

About 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 79720202) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID79720202
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccc(F)cn3)no2)CCNCC1
InChIInChI=1S/C14H17FN4O/c1-2-14(5-7-16-8-6-14)13-18-12(19-20-13)11-4-3-10(15)9-17-11/h3-4,9,16H,2,5-8H2,1H3
InChIKeyXQMXPHDBYUGVOT-UHFFFAOYSA-N
XLogP2.30
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 79720202) is 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is CCC1(c2nc(-c3ccc(F)cn3)no2)CCNCC1.
What is the InChIKey of 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is XQMXPHDBYUGVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-14(5-7-16-8-6-14)13-18-12(19-20-13)11-4-3-10(15)9-17-11/h3-4,9,16H,2,5-8H2,1H3.
What are the key properties of 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 276.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79720202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).