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

C₁₇H₁₇N₅O — CID 162649027

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

2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162649027) has the molecular formula C₁₇H₁₇N₅O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
• PubChem CID: 162649027
• Molecular Formula: C₁₇H₁₇N₅O
• Molecular Weight: 307.36 g/mol
• Exact Mass: 307.14
• IUPAC Name: 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
• SMILES: c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
• InChI: InChI=1S/C17H17N5O/c1-2-6-14(7-3-1)16-19-20-17(23-16)22-12-10-21(11-13-22)15-8-4-5-9-18-15/h1-9H,10-13H2
• InChIKey: NBMHQAWRLMBPET-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 58.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.36
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?

The IUPAC name of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162649027) is 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?

The canonical SMILES for 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1.

What is the InChIKey of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?

The InChIKey is NBMHQAWRLMBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-6-14(7-3-1)16-19-20-17(23-16)22-12-10-21(11-13-22)15-8-4-5-9-18-15/h1-9H,10-13H2.

What are the key properties of 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?

2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 307.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162649027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162649027 — identifiers, structure, computed properties (public domain)

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