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

C21H25N5O4S — CID 37375537

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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 37375537) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 37375537
• Molecular Formula: C21H25N5O4S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.16
• IUPAC Name: 2-[4-(furan-2-carbonyl)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(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C21H25N5O4S/c1-2-7-26(14-18-22-23-20(30-18)17-6-4-13-31-17)19(27)15-24-8-10-25(11-9-24)21(28)16-5-3-12-29-16/h3-6,12-13H,2,7-11,14-15H2,1H3
• InChIKey: MXJYVZPFGWHDTG-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 95.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 37375537) is 2-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[4-(furan-2-carbonyl)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(C(=O)c2ccco2)CC1.

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

The InChIKey is MXJYVZPFGWHDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-2-7-26(14-18-22-23-20(30-18)17-6-4-13-31-17)19(27)15-24-8-10-25(11-9-24)21(28)16-5-3-12-29-16/h3-6,12-13H,2,7-11,14-15H2,1H3.

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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 37375537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).