5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C24H22ClN5O5 — CID 55618041

About 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 55618041) has the molecular formula C24H22ClN5O5 and a molecular weight of 495.92 g/mol. Its IUPAC name is 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
• PubChem CID: 55618041
• Molecular Formula: C24H22ClN5O5
• Molecular Weight: 495.92 g/mol
• Exact Mass: 495.13
• IUPAC Name: 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
• SMILES: COc1ccc(Cl)cc1N1CC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O
• InChI: InChI=1S/C24H22ClN5O5/c1-33-19-5-4-16(25)12-18(19)30-14-15(11-21(30)31)23(32)28-6-8-29(9-7-28)24-17(13-26)27-22(35-24)20-3-2-10-34-20/h2-5,10,12,15H,6-9,11,14H2,1H3
• InChIKey: OXQJTWLPCWFLTF-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 116.05 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.92
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 55618041) is 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is COc1ccc(Cl)cc1N1CC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O.

What is the InChIKey of 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?

The InChIKey is OXQJTWLPCWFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O5/c1-33-19-5-4-16(25)12-18(19)30-14-15(11-21(30)31)23(32)28-6-8-29(9-7-28)24-17(13-26)27-22(35-24)20-3-2-10-34-20/h2-5,10,12,15H,6-9,11,14H2,1H3.

What are the key properties of 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?

5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 495.92 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 55618041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).