1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone

C19H23N7O5S — CID 33161785

About 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone (PubChem CID 33161785) has the molecular formula C19H23N7O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
• PubChem CID: 33161785
• Molecular Formula: C19H23N7O5S
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.15
• IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
• SMILES: Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2nnc(COc3ccccc3)n2)CC1
• InChI: InChI=1S/C19H23N7O5S/c1-14-19(15(2)31-22-14)32(28,29)25-10-8-24(9-11-25)18(27)12-26-21-17(20-23-26)13-30-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
• InChIKey: UFAHLBGTGYWYRG-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 136.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.50
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?

The IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone (CID 33161785) is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone.

What is the SMILES notation for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?

The canonical SMILES for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2nnc(COc3ccccc3)n2)CC1.

What is the InChIKey of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?

The InChIKey is UFAHLBGTGYWYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O5S/c1-14-19(15(2)31-22-14)32(28,29)25-10-8-24(9-11-25)18(27)12-26-21-17(20-23-26)13-30-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3.

What are the key properties of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone?

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone has a molecular weight of 461.50 g/mol, XLogP of 0.39, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 33161785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).