2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole

C33H25N13O2S — CID 141011422

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

2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole (PubChem CID 141011422) has the molecular formula C33H25N13O2S and a molecular weight of 667.72 g/mol. Its IUPAC name is 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole
• PubChem CID: 141011422
• Molecular Formula: C33H25N13O2S
• Molecular Weight: 667.72 g/mol
• Exact Mass: 667.20
• IUPAC Name: 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole
• SMILES: c1ccc(S2(c3cnccn3)(c3ncccn3)(c3ccn[nH]3)C(c3cccnn3)=C(c3ncco3)NC2(c2ccon2)c2ccc[nH]2)nc1
• InChI: InChI=1S/C33H25N13O2S/c1-2-11-36-26(8-1)49(27-9-16-42-45-27,28-22-34-17-18-37-28,32-39-13-5-14-40-32)30(23-6-3-15-41-44-23)29(31-38-19-21-47-31)43-33(49,24-7-4-12-35-24)25-10-20-48-46-25/h1-22,35,43H,(H,42,45)
• InChIKey: MRUPSVLQNZWFMU-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 198.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.72
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole (CID 141011422) is 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole is c1ccc(S2(c3cnccn3)(c3ncccn3)(c3ccn[nH]3)C(c3cccnn3)=C(c3ncco3)NC2(c2ccon2)c2ccc[nH]2)nc1.

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

The InChIKey is MRUPSVLQNZWFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N13O2S/c1-2-11-36-26(8-1)49(27-9-16-42-45-27,28-22-34-17-18-37-28,32-39-13-5-14-40-32)30(23-6-3-15-41-44-23)29(31-38-19-21-47-31)43-33(49,24-7-4-12-35-24)25-10-20-48-46-25/h1-22,35,43H,(H,42,45).

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

2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole has a molecular weight of 667.72 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 141011422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).