[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C26H25N5O2 — CID 43048457

About [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 43048457) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
• PubChem CID: 43048457
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
• SMILES: Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4ccccn4)CC3)cc2)o1
• InChI: InChI=1S/C26H25N5O2/c1-19-6-2-3-8-23(19)25-29-28-24(33-25)20-9-11-21(12-10-20)26(32)31-16-14-30(15-17-31)18-22-7-4-5-13-27-22/h2-13H,14-18H2,1H3
• InChIKey: YXWJJWUADAHFAO-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 75.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?

The IUPAC name of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 43048457) is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

What is the SMILES notation for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?

The canonical SMILES for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4ccccn4)CC3)cc2)o1.

What is the InChIKey of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?

The InChIKey is YXWJJWUADAHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-19-6-2-3-8-23(19)25-29-28-24(33-25)20-9-11-21(12-10-20)26(32)31-16-14-30(15-17-31)18-22-7-4-5-13-27-22/h2-13H,14-18H2,1H3.

What are the key properties of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 439.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43048457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).