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

C18H19N5O — CID 162646154

IUPAC2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C18H19N5O/c1-14-5-7-15(8-6-14)17-20-21-18(24-17)23-12-10-22(11-13-23)16-4-2-3-9-19-16/h2-9H,10-13H2,1H3
InChIKeyGEYOUWOYXCLTLH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.77
Rot. Bonds3

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

2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162646154) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID162646154
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C18H19N5O/c1-14-5-7-15(8-6-14)17-20-21-18(24-17)23-12-10-22(11-13-23)16-4-2-3-9-19-16/h2-9H,10-13H2,1H3
InChIKeyGEYOUWOYXCLTLH-UHFFFAOYSA-N
XLogP2.77
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162646154) is 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is GEYOUWOYXCLTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-5-7-15(8-6-14)17-20-21-18(24-17)23-12-10-22(11-13-23)16-4-2-3-9-19-16/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162646154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).