5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

C24H22N4O3 — CID 16647389

About 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 16647389) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 16647389
• Molecular Formula: C24H22N4O3
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.17
• IUPAC Name: 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• SMILES: COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(C(=O)c3ccccc3)CC2)o1
• InChI: InChI=1S/C24H22N4O3/c1-30-21-10-6-5-7-18(21)11-12-22-26-20(17-25)24(31-22)28-15-13-27(14-16-28)23(29)19-8-3-2-4-9-19/h2-12H,13-16H2,1H3/b12-11+
• InChIKey: IQMSGIXPVVNNMK-VAWYXSNFSA-N
• XLogP: 3.69
• TPSA: 82.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 16647389) is 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(C(=O)c3ccccc3)CC2)o1.

What is the InChIKey of 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?

The InChIKey is IQMSGIXPVVNNMK-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-30-21-10-6-5-7-18(21)11-12-22-26-20(17-25)24(31-22)28-15-13-27(14-16-28)23(29)19-8-3-2-4-9-19/h2-12H,13-16H2,1H3/b12-11+.

What are the key properties of 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?

5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 414.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16647389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).