3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole

C15H18FN3O2 — CID 86820526

IUPAC3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCCc2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C15H18FN3O2/c16-11-4-6-12(7-5-11)20-10-8-14-18-15(21-19-14)13-3-1-2-9-17-13/h4-7,13,17H,1-3,8-10H2
InChIKeyJMNKMGDBTLWKAS-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.64
Rot. Bonds5

About 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole

3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 86820526) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID86820526
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCCc2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C15H18FN3O2/c16-11-4-6-12(7-5-11)20-10-8-14-18-15(21-19-14)13-3-1-2-9-17-13/h4-7,13,17H,1-3,8-10H2
InChIKeyJMNKMGDBTLWKAS-UHFFFAOYSA-N
XLogP2.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole (CID 86820526) is 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole is Fc1ccc(OCCc2noc(C3CCCCN3)n2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is JMNKMGDBTLWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-11-4-6-12(7-5-11)20-10-8-14-18-15(21-19-14)13-3-1-2-9-17-13/h4-7,13,17H,1-3,8-10H2.
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole?
3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 291.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).