4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one

C23H25N5O2S — CID 16582857

About 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one

4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 16582857) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
• PubChem CID: 16582857
• Molecular Formula: C23H25N5O2S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.17
• IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
• SMILES: O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2nc(-c3cccs3)no2)CC1
• InChI: InChI=1S/C23H25N5O2S/c29-22(9-3-5-17-15-24-19-7-2-1-6-18(17)19)28-12-10-27(11-13-28)16-21-25-23(26-30-21)20-8-4-14-31-20/h1-2,4,6-8,14-15,24H,3,5,9-13,16H2
• InChIKey: RSKDKUKKTNFEAD-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one?

The IUPAC name of 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one (CID 16582857) is 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one.

What is the SMILES notation for 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one?

The canonical SMILES for 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2nc(-c3cccs3)no2)CC1.

What is the InChIKey of 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one?

The InChIKey is RSKDKUKKTNFEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c29-22(9-3-5-17-15-24-19-7-2-1-6-18(17)19)28-12-10-27(11-13-28)16-21-25-23(26-30-21)20-8-4-14-31-20/h1-2,4,6-8,14-15,24H,3,5,9-13,16H2.

What are the key properties of 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one?

4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 435.55 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 16582857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).