1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C16H19N3O6S — CID 129001576

About 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 129001576) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
• PubChem CID: 129001576
• Molecular Formula: C16H19N3O6S
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.10
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
• SMILES: CCc1noc(C2(O)CCN(S(=O)(=O)c3cccc4c3OCCO4)C2)n1
• InChI: InChI=1S/C16H19N3O6S/c1-2-13-17-15(25-18-13)16(20)6-7-19(10-16)26(21,22)12-5-3-4-11-14(12)24-9-8-23-11/h3-5,20H,2,6-10H2,1H3
• InChIKey: XVEWPPLZYMEZGJ-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 114.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 129001576) is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CCc1noc(C2(O)CCN(S(=O)(=O)c3cccc4c3OCCO4)C2)n1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

The InChIKey is XVEWPPLZYMEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-2-13-17-15(25-18-13)16(20)6-7-19(10-16)26(21,22)12-5-3-4-11-14(12)24-9-8-23-11/h3-5,20H,2,6-10H2,1H3.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 381.41 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129001576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).