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

C16H20ClN3O — CID 11109533

IUPAC3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C16H20ClN3O/c17-14-6-4-13(5-7-14)12-15-18-16(21-19-15)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-12H2
InChIKeySTSUBJWQKKSZQX-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.34
Rot. Bonds5

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

3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 11109533) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID11109533
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C16H20ClN3O/c17-14-6-4-13(5-7-14)12-15-18-16(21-19-15)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-12H2
InChIKeySTSUBJWQKKSZQX-UHFFFAOYSA-N
XLogP3.34
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole (CID 11109533) is 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole is Clc1ccc(Cc2noc(CCN3CCCCC3)n2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is STSUBJWQKKSZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-14-6-4-13(5-7-14)12-15-18-16(21-19-15)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-12H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole?
3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 305.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 11109533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).