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

C13H15ClFN3O — CID 139035121

IUPAC5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccc(-c2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C13H14FN3O.ClH/c14-11-3-1-10(2-4-11)13-16-12(17-18-13)9-5-7-15-8-6-9;/h1-4,9,15H,5-8H2;1H
InChIKeyFWEBREHLIFGXSP-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.76
Rot. Bonds2

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

5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 139035121) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID139035121
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccc(-c2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C13H14FN3O.ClH/c14-11-3-1-10(2-4-11)13-16-12(17-18-13)9-5-7-15-8-6-9;/h1-4,9,15H,5-8H2;1H
InChIKeyFWEBREHLIFGXSP-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride 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 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (CID 139035121) is 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is Cl.Fc1ccc(-c2nc(C3CCNCC3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is FWEBREHLIFGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.ClH/c14-11-3-1-10(2-4-11)13-16-12(17-18-13)9-5-7-15-8-6-9;/h1-4,9,15H,5-8H2;1H.
What are the key properties of 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 283.73 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 139035121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).