1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol

C20H23ClN4O3S — CID 112840490

About 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol

1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 112840490) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
• PubChem CID: 112840490
• Molecular Formula: C20H23ClN4O3S
• Molecular Weight: 434.95 g/mol
• Exact Mass: 434.12
• IUPAC Name: 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
• SMILES: OC(COc1ccccc1Cl)CN1CCN(Cc2nc(-c3cccs3)no2)CC1
• InChI: InChI=1S/C20H23ClN4O3S/c21-16-4-1-2-5-17(16)27-14-15(26)12-24-7-9-25(10-8-24)13-19-22-20(23-28-19)18-6-3-11-29-18/h1-6,11,15,26H,7-10,12-14H2
• InChIKey: NSHGGTCKFPRNKV-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 74.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.95
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol (CID 112840490) is 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol.

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

The canonical SMILES for 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol is OC(COc1ccccc1Cl)CN1CCN(Cc2nc(-c3cccs3)no2)CC1.

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

The InChIKey is NSHGGTCKFPRNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c21-16-4-1-2-5-17(16)27-14-15(26)12-24-7-9-25(10-8-24)13-19-22-20(23-28-19)18-6-3-11-29-18/h1-6,11,15,26H,7-10,12-14H2.

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

1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 434.95 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenoxy)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 112840490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).