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

C13H13ClFN3O — CID 81461458

IUPAC5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(C3CCCCN3)no2)c1Cl
InChIInChI=1S/C13H13ClFN3O/c14-11-8(4-3-5-9(11)15)13-17-12(18-19-13)10-6-1-2-7-16-10/h3-5,10,16H,1-2,6-7H2
InChIKeyMOHZNIRIBRWURR-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.34
Rot. Bonds2

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

5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 81461458) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID81461458
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(C3CCCCN3)no2)c1Cl
InChIInChI=1S/C13H13ClFN3O/c14-11-8(4-3-5-9(11)15)13-17-12(18-19-13)10-6-1-2-7-16-10/h3-5,10,16H,1-2,6-7H2
InChIKeyMOHZNIRIBRWURR-UHFFFAOYSA-N
XLogP3.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 81461458) is 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole is Fc1cccc(-c2nc(C3CCCCN3)no2)c1Cl.
What is the InChIKey of 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is MOHZNIRIBRWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-11-8(4-3-5-9(11)15)13-17-12(18-19-13)10-6-1-2-7-16-10/h3-5,10,16H,1-2,6-7H2.
What are the key properties of 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 281.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 81461458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).