[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

C22H24N8O2S — CID 55772871

About [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (PubChem CID 55772871) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
• PubChem CID: 55772871
• Molecular Formula: C22H24N8O2S
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.17
• IUPAC Name: [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)ccc1-n1cnnn1
• InChI: InChI=1S/C22H24N8O2S/c1-16-14-17(6-7-18(16)30-15-23-26-27-30)22(31)29-11-9-28(10-12-29)8-2-5-20-24-21(25-32-20)19-4-3-13-33-19/h3-4,6-7,13-15H,2,5,8-12H2,1H3
• InChIKey: GPUBVCNNJPJKQU-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 106.07 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

The IUPAC name of [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (CID 55772871) is [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.

What is the SMILES notation for [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

The canonical SMILES for [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)ccc1-n1cnnn1.

What is the InChIKey of [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

The InChIKey is GPUBVCNNJPJKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-16-14-17(6-7-18(16)30-15-23-26-27-30)22(31)29-11-9-28(10-12-29)8-2-5-20-24-21(25-32-20)19-4-3-13-33-19/h3-4,6-7,13-15H,2,5,8-12H2,1H3.

What are the key properties of [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 464.56 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55772871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).