5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole

C16H19ClFN3O — CID 75510924

IUPAC5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C(C)c3ccc(Cl)c(F)c3)CC2)n1
InChIInChI=1S/C16H19ClFN3O/c1-10(13-3-4-14(17)15(18)9-13)21-7-5-12(6-8-21)16-19-11(2)20-22-16/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyWFLZYIJUOFVXJU-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.11
Rot. Bonds3

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

5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 75510924) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID75510924
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C(C)c3ccc(Cl)c(F)c3)CC2)n1
InChIInChI=1S/C16H19ClFN3O/c1-10(13-3-4-14(17)15(18)9-13)21-7-5-12(6-8-21)16-19-11(2)20-22-16/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyWFLZYIJUOFVXJU-UHFFFAOYSA-N
XLogP4.11
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 75510924) is 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(C(C)c3ccc(Cl)c(F)c3)CC2)n1.
What is the InChIKey of 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is WFLZYIJUOFVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-10(13-3-4-14(17)15(18)9-13)21-7-5-12(6-8-21)16-19-11(2)20-22-16/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 323.80 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75510924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).