5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

C23H22N4O3S — CID 16647631

About 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 16647631) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 16647631
• Molecular Formula: C23H22N4O3S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.14
• IUPAC Name: 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
• SMILES: CCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1
• InChI: InChI=1S/C23H22N4O3S/c1-2-29-18-7-5-17(6-8-18)22(28)26-11-13-27(14-12-26)23-20(16-24)25-21(30-23)10-9-19-4-3-15-31-19/h3-10,15H,2,11-14H2,1H3/b10-9+
• InChIKey: VXOZJBNEZWGBDK-MDZDMXLPSA-N
• XLogP: 4.14
• TPSA: 82.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (CID 16647631) is 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is CCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1.

What is the InChIKey of 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?

The InChIKey is VXOZJBNEZWGBDK-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-2-29-18-7-5-17(6-8-18)22(28)26-11-13-27(14-12-26)23-20(16-24)25-21(30-23)10-9-19-4-3-15-31-19/h3-10,15H,2,11-14H2,1H3/b10-9+.

What are the key properties of 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?

5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 434.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16647631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).