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

C25H23FN4O4 — CID 16647305

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

5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 16647305) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 16647305
• Molecular Formula: C25H23FN4O4
• Molecular Weight: 462.48 g/mol
• Exact Mass: 462.17
• IUPAC Name: 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• SMILES: COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)COc4ccccc4F)CC3)o2)cc1
• InChI: InChI=1S/C25H23FN4O4/c1-32-19-9-6-18(7-10-19)8-11-23-28-21(16-27)25(34-23)30-14-12-29(13-15-30)24(31)17-33-22-5-3-2-4-20(22)26/h2-11H,12-15,17H2,1H3/b11-8+
• InChIKey: CLXKRIPALCANAO-DHZHZOJOSA-N
• XLogP: 3.59
• TPSA: 91.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.48
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 16647305) is 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

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

The canonical SMILES for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)COc4ccccc4F)CC3)o2)cc1.

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

The InChIKey is CLXKRIPALCANAO-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-32-19-9-6-18(7-10-19)8-11-23-28-21(16-27)25(34-23)30-14-12-29(13-15-30)24(31)17-33-22-5-3-2-4-20(22)26/h2-11H,12-15,17H2,1H3/b11-8+.

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

5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 462.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16647305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).