1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol

C14H19N3O2S — CID 110019750

About 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol

1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 110019750) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

• Compound Name: 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
• PubChem CID: 110019750
• Molecular Formula: C14H19N3O2S
• Molecular Weight: 293.39 g/mol
• Exact Mass: 293.12
• IUPAC Name: 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
• SMILES: CC(O)C1CCN(C(C)c2nnc(-c3cccs3)o2)C1
• InChI: InChI=1S/C14H19N3O2S/c1-9(17-6-5-11(8-17)10(2)18)13-15-16-14(19-13)12-4-3-7-20-12/h3-4,7,9-11,18H,5-6,8H2,1-2H3
• InChIKey: RSOUCGFJDNVKMM-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.39
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol?

The IUPAC name of 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol (CID 110019750) is 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol.

What is the SMILES notation for 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol?

The canonical SMILES for 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(C(C)c2nnc(-c3cccs3)o2)C1.

What is the InChIKey of 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol?

The InChIKey is RSOUCGFJDNVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9(17-6-5-11(8-17)10(2)18)13-15-16-14(19-13)12-4-3-7-20-12/h3-4,7,9-11,18H,5-6,8H2,1-2H3.

What are the key properties of 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol?

1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 293.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110019750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).