2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole

C30H20N14O2S2 — CID 141008871

About 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole

2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole (PubChem CID 141008871) has the molecular formula C30H20N14O2S2 and a molecular weight of 672.72 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
• PubChem CID: 141008871
• Molecular Formula: C30H20N14O2S2
• Molecular Weight: 672.72 g/mol
• Exact Mass: 672.13
• IUPAC Name: 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
• SMILES: c1cnc(C2(c3ncc[nH]3)N(c3ccsn3)N(c3nccs3)C(c3cccnn3)(c3ccon3)C2(c2cnccn2)c2ncco2)nc1
• InChI: InChI=1S/C30H20N14O2S2/c1-3-20(40-39-8-1)29(21-4-15-46-41-21)28(26-37-13-16-45-26,22-19-31-9-10-32-22)30(25-35-11-12-36-25,24-33-6-2-7-34-24)43(23-5-17-48-42-23)44(29)27-38-14-18-47-27/h1-19H,(H,35,36)
• InChIKey: JMEHLDSFPHMDKY-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 190.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.72
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole?

The IUPAC name of 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole (CID 141008871) is 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole.

What is the SMILES notation for 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole?

The canonical SMILES for 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole is c1cnc(C2(c3ncc[nH]3)N(c3ccsn3)N(c3nccs3)C(c3cccnn3)(c3ccon3)C2(c2cnccn2)c2ncco2)nc1.

What is the InChIKey of 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole?

The InChIKey is JMEHLDSFPHMDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N14O2S2/c1-3-20(40-39-8-1)29(21-4-15-46-41-21)28(26-37-13-16-45-26,22-19-31-9-10-32-22)30(25-35-11-12-36-25,24-33-6-2-7-34-24)43(23-5-17-48-42-23)44(29)27-38-14-18-47-27/h1-19H,(H,35,36).

What are the key properties of 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole?

2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole has a molecular weight of 672.72 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141008871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).