1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C19H15N3O2S2 — CID 124759884

About 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 124759884) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 124759884
• Molecular Formula: C19H15N3O2S2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.06
• IUPAC Name: 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cc2ccccc2s1)N1CC[C@H](c2noc(-c3cccs3)n2)C1
• InChI: InChI=1S/C19H15N3O2S2/c23-19(16-10-12-4-1-2-5-14(12)26-16)22-8-7-13(11-22)17-20-18(24-21-17)15-6-3-9-25-15/h1-6,9-10,13H,7-8,11H2/t13-/m0/s1
• InChIKey: IHSIKKQYENFDLB-ZDUSSCGKSA-N
• XLogP: 4.64
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 124759884) is 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

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

The canonical SMILES for 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is O=C(c1cc2ccccc2s1)N1CC[C@H](c2noc(-c3cccs3)n2)C1.

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

The InChIKey is IHSIKKQYENFDLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-19(16-10-12-4-1-2-5-14(12)26-16)22-8-7-13(11-22)17-20-18(24-21-17)15-6-3-9-25-15/h1-6,9-10,13H,7-8,11H2/t13-/m0/s1.

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

1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124759884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).