4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine

C29H26N8O3S — CID 141024630

About 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine

4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141024630) has the molecular formula C29H26N8O3S and a molecular weight of 566.65 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 141024630
• Molecular Formula: C29H26N8O3S
• Molecular Weight: 566.65 g/mol
• Exact Mass: 566.18
• IUPAC Name: 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1cnnc(C2(c3cccs3)ON(c3ccn[nH]3)C(c3ncc[nH]3)(C3CCCO3)C2(c2ccc[nH]2)c2ccco2)c1
• InChI: InChI=1S/C29H26N8O3S/c1-6-20(30-12-1)27(22-8-3-17-38-22)28(23-9-4-18-39-23,26-31-15-16-32-26)37(25-11-14-34-36-25)40-29(27,24-10-5-19-41-24)21-7-2-13-33-35-21/h1-3,5-8,10-17,19,23,30H,4,9,18H2,(H,31,32)(H,34,36)
• InChIKey: GLMJGRBFGQVLCX-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 133.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.65
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine (CID 141024630) is 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-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-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine?

The canonical SMILES for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine is c1cnnc(C2(c3cccs3)ON(c3ccn[nH]3)C(c3ncc[nH]3)(C3CCCO3)C2(c2ccc[nH]2)c2ccco2)c1.

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

The InChIKey is GLMJGRBFGQVLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O3S/c1-6-20(30-12-1)27(22-8-3-17-38-22)28(23-9-4-18-39-23,26-31-15-16-32-26)37(25-11-14-34-36-25)40-29(27,24-10-5-19-41-24)21-7-2-13-33-35-21/h1-3,5-8,10-17,19,23,30H,4,9,18H2,(H,31,32)(H,34,36).

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

4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 566.65 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141024630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).