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

C24H21FN4O3 — CID 16647649

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

5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 16647649) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 16647649
• Molecular Formula: C24H21FN4O3
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.16
• IUPAC Name: 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
• SMILES: COc1cccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4F)CC3)o2)c1
• InChI: InChI=1S/C24H21FN4O3/c1-31-18-6-4-5-17(15-18)9-10-22-27-21(16-26)24(32-22)29-13-11-28(12-14-29)23(30)19-7-2-3-8-20(19)25/h2-10,15H,11-14H2,1H3/b10-9+
• InChIKey: MTMXXIJDHNAUHI-MDZDMXLPSA-N
• XLogP: 3.83
• TPSA: 82.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 16647649) is 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

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

The canonical SMILES for 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is COc1cccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4F)CC3)o2)c1.

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

The InChIKey is MTMXXIJDHNAUHI-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-31-18-6-4-5-17(15-18)9-10-22-27-21(16-26)24(32-22)29-13-11-28(12-14-29)23(30)19-7-2-3-8-20(19)25/h2-10,15H,11-14H2,1H3/b10-9+.

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

5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 432.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16647649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).