4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine

C26H18N8O3S3 — CID 141026431

About 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine

4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141026431) has the molecular formula C26H18N8O3S3 and a molecular weight of 586.68 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 141026431
• Molecular Formula: C26H18N8O3S3
• Molecular Weight: 586.68 g/mol
• Exact Mass: 586.07
• IUPAC Name: 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1coc(C2(c3ccsn3)C(c3cccs3)(c3nccs3)ON(c3ccn[nH]3)C2(c2ncc[nH]2)c2ncco2)c1
• InChI: InChI=1S/C26H18N8O3S3/c1-3-18(35-12-1)24(17-6-15-40-33-17)25(21-27-8-9-28-21,22-29-10-13-36-22)34(20-5-7-31-32-20)37-26(24,19-4-2-14-38-19)23-30-11-16-39-23/h1-16H,(H,27,28)(H,31,32)
• InChIKey: RWHPPNMCSZMEGR-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 134.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	586.68
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine?

The IUPAC name of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine (CID 141026431) is 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine.

What is the SMILES notation for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine?

The canonical SMILES for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine is c1coc(C2(c3ccsn3)C(c3cccs3)(c3nccs3)ON(c3ccn[nH]3)C2(c2ncc[nH]2)c2ncco2)c1.

What is the InChIKey of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine?

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

What are the key properties of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine?

4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 586.68 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141026431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).