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

C23H21ClN4O2 — CID 6200332

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

5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6200332) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 6200332
• Molecular Formula: C23H21ClN4O2
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.14
• IUPAC Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• SMILES: COc1cccc(/C=C/c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)c1
• InChI: InChI=1S/C23H21ClN4O2/c1-29-20-7-2-4-17(14-20)8-9-22-26-21(16-25)23(30-22)28-12-10-27(11-13-28)19-6-3-5-18(24)15-19/h2-9,14-15H,10-13H2,1H3/b9-8+
• InChIKey: NPVORGKVVZRVIT-CMDGGOBGSA-N
• XLogP: 4.71
• TPSA: 65.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 6200332) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

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

The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is COc1cccc(/C=C/c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)c1.

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

The InChIKey is NPVORGKVVZRVIT-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-29-20-7-2-4-17(14-20)8-9-22-26-21(16-25)23(30-22)28-12-10-27(11-13-28)19-6-3-5-18(24)15-19/h2-9,14-15H,10-13H2,1H3/b9-8+.

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

5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 420.90 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6200332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).