2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole

C28H21N9O2S2 — CID 141418239

About 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole

2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole (PubChem CID 141418239) has the molecular formula C28H21N9O2S2 and a molecular weight of 579.67 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
• PubChem CID: 141418239
• Molecular Formula: C28H21N9O2S2
• Molecular Weight: 579.67 g/mol
• Exact Mass: 579.13
• IUPAC Name: 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
• SMILES: c1ccc(N2C(c3ncc[nH]3)C(c3ccc[nH]3)(c3nccs3)C(c3ccon3)(c3cccs3)N2c2ncco2)nc1
• InChI: InChI=1S/C28H21N9O2S2/c1-2-9-30-22(7-1)36-23(24-31-11-12-32-24)27(19-5-3-10-29-19,25-33-14-18-41-25)28(20-8-15-39-35-20,21-6-4-17-40-21)37(36)26-34-13-16-38-26/h1-18,23,29H,(H,31,32)
• InChIKey: YFYPABQCWARYBO-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 128.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	579.67
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole (CID 141418239) is 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole is c1ccc(N2C(c3ncc[nH]3)C(c3ccc[nH]3)(c3nccs3)C(c3ccon3)(c3cccs3)N2c2ncco2)nc1.

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

The InChIKey is YFYPABQCWARYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N9O2S2/c1-2-9-30-22(7-1)36-23(24-31-11-12-32-24)27(19-5-3-10-29-19,25-33-14-18-41-25)28(20-8-15-39-35-20,21-6-4-17-40-21)37(36)26-34-13-16-38-26/h1-18,23,29H,(H,31,32).

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

2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole has a molecular weight of 579.67 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141418239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).