4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole

C26H19N11O3S — CID 141156867

About 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole

4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole (PubChem CID 141156867) has the molecular formula C26H19N11O3S and a molecular weight of 565.58 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole
• PubChem CID: 141156867
• Molecular Formula: C26H19N11O3S
• Molecular Weight: 565.58 g/mol
• Exact Mass: 565.14
• IUPAC Name: 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole
• SMILES: c1c[nH]c(C2(c3cccs3)N(c3ccon3)N(c3ncco3)C(c3conn3)C2(c2cnccn2)c2ncc[nH]2)c1
• InChI: InChI=1S/C26H19N11O3S/c1-3-18(28-6-1)26(20-4-2-14-41-20)25(23-30-9-10-31-23,19-15-27-7-8-29-19)22(17-16-40-35-33-17)36(24-32-11-13-38-24)37(26)21-5-12-39-34-21/h1-16,22,28H,(H,30,31)
• InChIKey: AZRBATREZBYSRT-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 167.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.58
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole (CID 141156867) is 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole.

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

The canonical SMILES for 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole is c1c[nH]c(C2(c3cccs3)N(c3ccon3)N(c3ncco3)C(c3conn3)C2(c2cnccn2)c2ncc[nH]2)c1.

What is the InChIKey of 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole?

The InChIKey is AZRBATREZBYSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N11O3S/c1-3-18(28-6-1)26(20-4-2-14-41-20)25(23-30-9-10-31-23,19-15-27-7-8-29-19)22(17-16-40-35-33-17)36(24-32-11-13-38-24)37(26)21-5-12-39-34-21/h1-16,22,28H,(H,30,31).

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

4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole has a molecular weight of 565.58 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazolidin-3-yl]oxadiazole is sourced from PubChem (CID 141156867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).