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

C17H16BrN5O — CID 162662842

IUPAC2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H16BrN5O/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
InChIKeyOGMDVMWMCVEIDI-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.22
Rot. Bonds3

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

2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162662842) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID162662842
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H16BrN5O/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
InChIKeyOGMDVMWMCVEIDI-UHFFFAOYSA-N
XLogP3.22
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162649027
2-(4-Nitrophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162654477
2-(4-Chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162656066
2-(2,4-Difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162657748
2-(4-Fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162659720
2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 162660949
2-(3-Bromophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 15990248
AChE-IN-63
CID 15990123
2-(4-Fluorophenyl)-5-{[4-(2-pyridyl)piperazino]methyl}-1,3,4-oxadiazole
CID 15990229
2-(2-Methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 15990236
2-(4-Methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162646154
2-(3-Methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162652557

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162662842) is 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is Brc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is OGMDVMWMCVEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/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-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 386.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162662842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).