1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine

C13H18N4OS — CID 112630225

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

1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 112630225) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

• Compound Name: 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
• PubChem CID: 112630225
• Molecular Formula: C13H18N4OS
• Molecular Weight: 278.38 g/mol
• Exact Mass: 278.12
• IUPAC Name: 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
• SMILES: CC(N)C1CCN(Cc2nc(-c3ccsc3)no2)C1
• InChI: InChI=1S/C13H18N4OS/c1-9(14)10-2-4-17(6-10)7-12-15-13(16-18-12)11-3-5-19-8-11/h3,5,8-10H,2,4,6-7,14H2,1H3
• InChIKey: PIDPMSMINPOLBS-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 68.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.38
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine (CID 112630225) is 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine.

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

The canonical SMILES for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2nc(-c3ccsc3)no2)C1.

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

The InChIKey is PIDPMSMINPOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9(14)10-2-4-17(6-10)7-12-15-13(16-18-12)11-3-5-19-8-11/h3,5,8-10H,2,4,6-7,14H2,1H3.

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

1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 112630225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).