3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

C13H14FN3O — CID 22248032

IUPAC3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C13H14FN3O/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2
InChIKeyALLYOASOILGROI-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.34
Rot. Bonds2

About 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 22248032) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID22248032
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C13H14FN3O/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2
InChIKeyALLYOASOILGROI-UHFFFAOYSA-N
XLogP2.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 22248032) is 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is Fc1ccccc1-c1noc(C2CCNCC2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is ALLYOASOILGROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9/h1-4,9,15H,5-8H2.
What are the key properties of 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 247.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 22248032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).