3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C15H18ClN3O — CID 2803673

IUPAC3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-6-8-19(9-7-11)10-14-17-15(18-20-14)12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyYGOKXPYSMYEJLK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.62
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 2803673) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID2803673
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-6-8-19(9-7-11)10-14-17-15(18-20-14)12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyYGOKXPYSMYEJLK-UHFFFAOYSA-N
XLogP3.62
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-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-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 2803673) is 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is CC1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YGOKXPYSMYEJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-6-8-19(9-7-11)10-14-17-15(18-20-14)12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 291.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2803673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).