2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole

C26H17N7O3S4 — CID 141116088

About 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole

2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole (PubChem CID 141116088) has the molecular formula C26H17N7O3S4 and a molecular weight of 603.74 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole
• PubChem CID: 141116088
• Molecular Formula: C26H17N7O3S4
• Molecular Weight: 603.74 g/mol
• Exact Mass: 603.03
• IUPAC Name: 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole
• SMILES: c1coc(C2(c3cccs3)CN(c3csnn3)C(c3ccsn3)(c3nccs3)C2(c2ccon2)c2ncco2)c1
• InChI: InChI=1S/C26H17N7O3S4/c1-3-19(34-9-1)24(20-4-2-12-37-20)16-33(21-15-40-32-29-21)26(18-6-13-39-31-18,23-28-8-14-38-23)25(24,17-5-10-36-30-17)22-27-7-11-35-22/h1-15H,16H2
• InChIKey: TXEXCAWAABAYSE-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 120.00 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	603.74
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole?

The IUPAC name of 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole (CID 141116088) is 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole.

What is the SMILES notation for 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole?

The canonical SMILES for 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole is c1coc(C2(c3cccs3)CN(c3csnn3)C(c3ccsn3)(c3nccs3)C2(c2ccon2)c2ncco2)c1.

What is the InChIKey of 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole?

The InChIKey is TXEXCAWAABAYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N7O3S4/c1-3-19(34-9-1)24(20-4-2-12-37-20)16-33(21-15-40-32-29-21)26(18-6-13-39-31-18,23-28-8-14-38-23)25(24,17-5-10-36-30-17)22-27-7-11-35-22/h1-15H,16H2.

What are the key properties of 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole?

2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 603.74 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 141116088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).