2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole

C37H26N8O3S — CID 141133599

About 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole

2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole (PubChem CID 141133599) has the molecular formula C37H26N8O3S and a molecular weight of 662.74 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole
• PubChem CID: 141133599
• Molecular Formula: C37H26N8O3S
• Molecular Weight: 662.74 g/mol
• Exact Mass: 662.18
• IUPAC Name: 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole
• SMILES: c1c[nH]c(C2=C(c3ccn[nH]3)C(c3ncc[nH]3)C(c3cc4ccccc4[nH]3)(c3nccs3)C(c3cc4ccccc4o3)(c3ncco3)O2)c1
• InChI: InChI=1S/C37H26N8O3S/c1-3-8-24-22(6-1)20-28(44-24)36(35-42-17-19-49-35)31(33-39-14-15-40-33)30(25-11-13-43-45-25)32(26-9-5-12-38-26)48-37(36,34-41-16-18-46-34)29-21-23-7-2-4-10-27(23)47-29/h1-21,31,38,44H,(H,39,40)(H,43,45)
• InChIKey: CSTIJLBCKORRDQ-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 150.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.74
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?

The IUPAC name of 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole (CID 141133599) is 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole is c1c[nH]c(C2=C(c3ccn[nH]3)C(c3ncc[nH]3)C(c3cc4ccccc4[nH]3)(c3nccs3)C(c3cc4ccccc4o3)(c3ncco3)O2)c1.

What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?

The InChIKey is CSTIJLBCKORRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N8O3S/c1-3-8-24-22(6-1)20-28(44-24)36(35-42-17-19-49-35)31(33-39-14-15-40-33)30(25-11-13-43-45-25)32(26-9-5-12-38-26)48-37(36,34-41-16-18-46-34)29-21-23-7-2-4-10-27(23)47-29/h1-21,31,38,44H,(H,39,40)(H,43,45).

What are the key properties of 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole?

2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole has a molecular weight of 662.74 g/mol, XLogP of 7.75, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-benzofuran-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4H-pyran-2-yl]-1,3-oxazole is sourced from PubChem (CID 141133599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).