3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

C20H19N5O2S — CID 124874907

About 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124874907) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 124874907
• Molecular Formula: C20H19N5O2S
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.13
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
• SMILES: O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1
• InChI: InChI=1S/C20H19N5O2S/c26-18(8-7-17-21-14-4-1-2-5-15(14)22-17)25-10-9-13(12-25)19-23-20(27-24-19)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2,(H,21,22)/t13-/m1/s1
• InChIKey: FSFQYCOLWXJWQG-CYBMUJFWSA-N
• XLogP: 3.62
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one (CID 124874907) is 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is FSFQYCOLWXJWQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-18(8-7-17-21-14-4-1-2-5-15(14)22-17)25-10-9-13(12-25)19-23-20(27-24-19)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2,(H,21,22)/t13-/m1/s1.

What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one?

3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 393.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124874907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).