2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole

C26H18N8O3S3 — CID 141122037

About 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole

2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole (PubChem CID 141122037) has the molecular formula C26H18N8O3S3 and a molecular weight of 586.68 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
• PubChem CID: 141122037
• Molecular Formula: C26H18N8O3S3
• Molecular Weight: 586.68 g/mol
• Exact Mass: 586.07
• IUPAC Name: 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
• SMILES: c1coc(C2(c3nccs3)C(c3ccon3)N(c3ncco3)N(c3ncc[nH]3)C2(c2ccsn2)c2cccs2)c1
• InChI: InChI=1S/C26H18N8O3S3/c1-3-19(35-11-1)25(22-27-10-16-39-22)21(17-5-12-37-31-17)33(24-30-9-13-36-24)34(23-28-7-8-29-23)26(25,18-6-15-40-32-18)20-4-2-14-38-20/h1-16,21H,(H,28,29)
• InChIKey: FMKDREVPPBQHRA-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 126.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	586.68
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

The IUPAC name of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole (CID 141122037) is 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole is c1coc(C2(c3nccs3)C(c3ccon3)N(c3ncco3)N(c3ncc[nH]3)C2(c2ccsn2)c2cccs2)c1.

What is the InChIKey of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

The InChIKey is FMKDREVPPBQHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N8O3S3/c1-3-19(35-11-1)25(22-27-10-16-39-22)21(17-5-12-37-31-17)33(24-30-9-13-36-24)34(23-28-7-8-29-23)26(25,18-6-15-40-32-18)20-4-2-14-38-20/h1-16,21H,(H,28,29).

What are the key properties of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole?

2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole has a molecular weight of 586.68 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141122037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).