2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C25H33N5O3S — CID 55470561

About 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 55470561) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 55470561
• Molecular Formula: C25H33N5O3S
• Molecular Weight: 483.64 g/mol
• Exact Mass: 483.23
• IUPAC Name: 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(Cc2ccc(OCC)cc2)CC1
• InChI: InChI=1S/C25H33N5O3S/c1-3-11-30(18-23-26-27-25(33-23)22-6-5-16-34-22)24(31)19-29-14-12-28(13-15-29)17-20-7-9-21(10-8-20)32-4-2/h5-10,16H,3-4,11-15,17-19H2,1-2H3
• InChIKey: FPYKJWKUFQJGSQ-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 74.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.64
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 55470561) is 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(Cc2ccc(OCC)cc2)CC1.

What is the InChIKey of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The InChIKey is FPYKJWKUFQJGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-3-11-30(18-23-26-27-25(33-23)22-6-5-16-34-22)24(31)19-29-14-12-28(13-15-29)17-20-7-9-21(10-8-20)32-4-2/h5-10,16H,3-4,11-15,17-19H2,1-2H3.

What are the key properties of 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 483.64 g/mol, XLogP of 3.75, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 55470561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).