3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

C19H19FN4O — CID 654604

IUPAC3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCN(Cc4cccnc4)CC3)n2)cc1
InChIInChI=1S/C19H19FN4O/c20-17-5-3-15(4-6-17)18-22-19(25-23-18)16-7-10-24(11-8-16)13-14-2-1-9-21-12-14/h1-6,9,12,16H,7-8,10-11,13H2
InChIKeyGESYMTNOJWEPPG-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.65
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 654604) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID654604
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCN(Cc4cccnc4)CC3)n2)cc1
InChIInChI=1S/C19H19FN4O/c20-17-5-3-15(4-6-17)18-22-19(25-23-18)16-7-10-24(11-8-16)13-14-2-1-9-21-12-14/h1-6,9,12,16H,7-8,10-11,13H2
InChIKeyGESYMTNOJWEPPG-UHFFFAOYSA-N
XLogP3.65
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 654604) is 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCN(Cc4cccnc4)CC3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is GESYMTNOJWEPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-5-3-15(4-6-17)18-22-19(25-23-18)16-7-10-24(11-8-16)13-14-2-1-9-21-12-14/h1-6,9,12,16H,7-8,10-11,13H2.
What are the key properties of 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).