1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone

C24H26N4O5S — CID 55602983

About 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone

1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone (PubChem CID 55602983) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone.

Molecular Properties

• Compound Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
• PubChem CID: 55602983
• Molecular Formula: C24H26N4O5S
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.16
• IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
• SMILES: Cc1nc(-c2ccc(OCC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc2)no1
• InChI: InChI=1S/C24H26N4O5S/c1-17-25-24(26-33-17)19-5-8-21(9-6-19)32-16-23(29)27-11-13-28(14-12-27)34(30,31)22-10-7-18-3-2-4-20(18)15-22/h5-10,15H,2-4,11-14,16H2,1H3
• InChIKey: WIKCQMRJBOAPLZ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 105.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone?

The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone (CID 55602983) is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone.

What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone?

The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone is Cc1nc(-c2ccc(OCC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc2)no1.

What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone?

The InChIKey is WIKCQMRJBOAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-17-25-24(26-33-17)19-5-8-21(9-6-19)32-16-23(29)27-11-13-28(14-12-27)34(30,31)22-10-7-18-3-2-4-20(18)15-22/h5-10,15H,2-4,11-14,16H2,1H3.

What are the key properties of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone?

1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone has a molecular weight of 482.56 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone is sourced from PubChem (CID 55602983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).