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

C25H24N4O2S — CID 30536633

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

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 30536633) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
• PubChem CID: 30536633
• Molecular Formula: C25H24N4O2S
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.16
• IUPAC Name: [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
• SMILES: Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2)o1
• InChI: InChI=1S/C25H24N4O2S/c1-18-5-2-3-7-22(18)24-27-26-23(31-24)19-8-10-20(11-9-19)25(30)29-14-12-28(13-15-29)17-21-6-4-16-32-21/h2-11,16H,12-15,17H2,1H3
• InChIKey: JRFKINKFZPNEMF-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	4.73
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-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?

The IUPAC name of [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 30536633) is [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

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

The canonical SMILES for [4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2)o1.

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

The InChIKey is JRFKINKFZPNEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-18-5-2-3-7-22(18)24-27-26-23(31-24)19-8-10-20(11-9-19)25(30)29-14-12-28(13-15-29)17-21-6-4-16-32-21/h2-11,16H,12-15,17H2,1H3.

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

[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 444.56 g/mol, XLogP of 4.73, 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-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30536633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).