[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate

C23H24ClN3O4S — CID 24659262

About [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate

[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate (PubChem CID 24659262) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

• Compound Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
• PubChem CID: 24659262
• Molecular Formula: C23H24ClN3O4S
• Molecular Weight: 473.98 g/mol
• Exact Mass: 473.12
• IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
• SMILES: O=C(CCc1ncc(-c2ccccc2)o1)OCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1
• InChI: InChI=1S/C23H24ClN3O4S/c24-20-7-6-18(32-20)15-26-10-12-27(13-11-26)22(28)16-30-23(29)9-8-21-25-14-19(31-21)17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2
• InChIKey: CVQMNJLDDJIFRK-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 75.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.98
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

The IUPAC name of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate (CID 24659262) is [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate.

What is the SMILES notation for [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

The canonical SMILES for [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate is O=C(CCc1ncc(-c2ccccc2)o1)OCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1.

What is the InChIKey of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

The InChIKey is CVQMNJLDDJIFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c24-20-7-6-18(32-20)15-26-10-12-27(13-11-26)22(28)16-30-23(29)9-8-21-25-14-19(31-21)17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2.

What are the key properties of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?

[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 473.98 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 24659262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).