2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

C17H16ClN5O — CID 162656066

IUPAC2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H16ClN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2
InChIKeyKBIVDYZJPVDUPZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162656066) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID162656066
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H16ClN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2
InChIKeyKBIVDYZJPVDUPZ-UHFFFAOYSA-N
XLogP3.11
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162656066) is 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is KBIVDYZJPVDUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2.
What are the key properties of 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 341.80 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162656066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).