3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C16H20ClN3O — CID 62216700

IUPAC3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESClc1cccc(Cc2noc(CCC3CCNCC3)n2)c1
InChIInChI=1S/C16H20ClN3O/c17-14-3-1-2-13(10-14)11-15-19-16(21-20-15)5-4-12-6-8-18-9-7-12/h1-3,10,12,18H,4-9,11H2
InChIKeySMURPKJEJGKHCU-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.25
Rot. Bonds5

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

3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 62216700) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID62216700
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESClc1cccc(Cc2noc(CCC3CCNCC3)n2)c1
InChIInChI=1S/C16H20ClN3O/c17-14-3-1-2-13(10-14)11-15-19-16(21-20-15)5-4-12-6-8-18-9-7-12/h1-3,10,12,18H,4-9,11H2
InChIKeySMURPKJEJGKHCU-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 62216700) is 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is Clc1cccc(Cc2noc(CCC3CCNCC3)n2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is SMURPKJEJGKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-14-3-1-2-13(10-14)11-15-19-16(21-20-15)5-4-12-6-8-18-9-7-12/h1-3,10,12,18H,4-9,11H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 305.81 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62216700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).