3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride

C15H19Cl2N3O — CID 119948432

IUPAC3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccc(Cc2noc(CC3CCNCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O.ClH/c16-13-3-1-11(2-4-13)9-14-18-15(20-19-14)10-12-5-7-17-8-6-12;/h1-4,12,17H,5-10H2;1H
InChIKeyIUQZCWXZRGZZBD-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.28
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride

3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 119948432) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID119948432
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccc(Cc2noc(CC3CCNCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O.ClH/c16-13-3-1-11(2-4-13)9-14-18-15(20-19-14)10-12-5-7-17-8-6-12;/h1-4,12,17H,5-10H2;1H
InChIKeyIUQZCWXZRGZZBD-UHFFFAOYSA-N
XLogP3.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride (CID 119948432) is 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride is Cl.Clc1ccc(Cc2noc(CC3CCNCC3)n2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IUQZCWXZRGZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.ClH/c16-13-3-1-11(2-4-13)9-14-18-15(20-19-14)10-12-5-7-17-8-6-12;/h1-4,12,17H,5-10H2;1H.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119948432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).