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

C23H25N5O2S — CID 86892339

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

1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 86892339) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
• PubChem CID: 86892339
• Molecular Formula: C23H25N5O2S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.17
• IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
• SMILES: Cc1[nH]c2ccccc2c1C(=O)C(C)N1CCN(Cc2nc(-c3cccs3)no2)CC1
• InChI: InChI=1S/C23H25N5O2S/c1-15-21(17-6-3-4-7-18(17)24-15)22(29)16(2)28-11-9-27(10-12-28)14-20-25-23(26-30-20)19-8-5-13-31-19/h3-8,13,16,24H,9-12,14H2,1-2H3
• InChIKey: LJNMRSHQGQLGJC-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one (CID 86892339) is 1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one.

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

The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one is Cc1[nH]c2ccccc2c1C(=O)C(C)N1CCN(Cc2nc(-c3cccs3)no2)CC1.

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

The InChIKey is LJNMRSHQGQLGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-21(17-6-3-4-7-18(17)24-15)22(29)16(2)28-11-9-27(10-12-28)14-20-25-23(26-30-20)19-8-5-13-31-19/h3-8,13,16,24H,9-12,14H2,1-2H3.

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

1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 435.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methyl-1H-indol-3-yl)-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86892339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).