4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide

C25H31N5O3S — CID 24590870

About 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide

4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide (PubChem CID 24590870) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide
• PubChem CID: 24590870
• Molecular Formula: C25H31N5O3S
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.21
• IUPAC Name: 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1
• InChI: InChI=1S/C25H31N5O3S/c1-25(2,3)19-8-6-18(7-9-19)24(32)26-11-10-22(31)30-14-12-29(13-15-30)17-21-27-23(28-33-21)20-5-4-16-34-20/h4-9,16H,10-15,17H2,1-3H3,(H,26,32)
• InChIKey: HAWFEZVDPBTIEJ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide (CID 24590870) is 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide.

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

The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1.

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

The InChIKey is HAWFEZVDPBTIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-25(2,3)19-8-6-18(7-9-19)24(32)26-11-10-22(31)30-14-12-29(13-15-30)17-21-27-23(28-33-21)20-5-4-16-34-20/h4-9,16H,10-15,17H2,1-3H3,(H,26,32).

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

4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 24590870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).