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

C13H13ClFN3O — CID 53417952

IUPAC3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C13H13ClFN3O/c14-11-7-9(15)1-2-10(11)12-17-13(19-18-12)8-3-5-16-6-4-8/h1-2,7-8,16H,3-6H2
InChIKeyLZJIDNDQPDVYDE-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.00
Rot. Bonds2

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

3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 53417952) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID53417952
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C13H13ClFN3O/c14-11-7-9(15)1-2-10(11)12-17-13(19-18-12)8-3-5-16-6-4-8/h1-2,7-8,16H,3-6H2
InChIKeyLZJIDNDQPDVYDE-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 53417952) is 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCNCC3)n2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is LZJIDNDQPDVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-11-7-9(15)1-2-10(11)12-17-13(19-18-12)8-3-5-16-6-4-8/h1-2,7-8,16H,3-6H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 281.72 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53417952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).