3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole

C29H21N11O2S3 — CID 141066949

About 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole

3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole (PubChem CID 141066949) has the molecular formula C29H21N11O2S3 and a molecular weight of 651.76 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole
• PubChem CID: 141066949
• Molecular Formula: C29H21N11O2S3
• Molecular Weight: 651.76 g/mol
• Exact Mass: 651.10
• IUPAC Name: 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole
• SMILES: c1c[nH]c(C2(c3nccs3)N(c3ccsn3)N(c3cn[nH]n3)C(c3ncc[nH]3)(c3ccco3)C2(c2ccon2)c2cccs2)c1
• InChI: InChI=1S/C29H21N11O2S3/c1-4-20(30-9-1)28(26-33-12-17-44-26)27(19-7-14-42-36-19,22-6-3-15-43-22)29(21-5-2-13-41-21,25-31-10-11-32-25)40(24-18-34-38-35-24)39(28)23-8-16-45-37-23/h1-18,30H,(H,31,32)(H,34,35,38)
• InChIKey: XFEPUTFLSIHADF-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 157.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	651.76
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole (CID 141066949) is 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole.

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

The canonical SMILES for 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole is c1c[nH]c(C2(c3nccs3)N(c3ccsn3)N(c3cn[nH]n3)C(c3ncc[nH]3)(c3ccco3)C2(c2ccon2)c2cccs2)c1.

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

The InChIKey is XFEPUTFLSIHADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N11O2S3/c1-4-20(30-9-1)28(26-33-12-17-44-26)27(19-7-14-42-36-19,22-6-3-15-43-22)29(21-5-2-13-41-21,25-31-10-11-32-25)40(24-18-34-38-35-24)39(28)23-8-16-45-37-23/h1-18,30H,(H,31,32)(H,34,35,38).

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

3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole has a molecular weight of 651.76 g/mol, XLogP of 5.53, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 141066949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).