2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole

C28H20N12O2S — CID 141213196

About 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole

2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole (PubChem CID 141213196) has the molecular formula C28H20N12O2S and a molecular weight of 588.62 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole
• PubChem CID: 141213196
• Molecular Formula: C28H20N12O2S
• Molecular Weight: 588.62 g/mol
• Exact Mass: 588.16
• IUPAC Name: 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole
• SMILES: c1ccc(C2C(c3ccon3)=C(c3ncco3)N(c3nccs3)C(c3cccnn3)(c3ncc[nH]3)N2c2ccn[nH]2)nc1
• InChI: InChI=1S/C28H20N12O2S/c1-2-8-29-19(4-1)23-22(18-7-15-42-38-18)24(25-30-13-16-41-25)40(27-33-14-17-43-27)28(26-31-11-12-32-26,20-5-3-9-34-36-20)39(23)21-6-10-35-37-21/h1-17,23H,(H,31,32)(H,35,37)
• InChIKey: YUMYTDWMXPDLNH-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 167.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.62
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole?

The IUPAC name of 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole (CID 141213196) is 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole is c1ccc(C2C(c3ccon3)=C(c3ncco3)N(c3nccs3)C(c3cccnn3)(c3ncc[nH]3)N2c2ccn[nH]2)nc1.

What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole?

The InChIKey is YUMYTDWMXPDLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N12O2S/c1-2-8-29-19(4-1)23-22(18-7-15-42-38-18)24(25-30-13-16-41-25)40(27-33-14-17-43-27)28(26-31-11-12-32-26,20-5-3-9-34-36-20)39(23)21-6-10-35-37-21/h1-17,23H,(H,31,32)(H,35,37).

What are the key properties of 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole?

2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole has a molecular weight of 588.62 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole is sourced from PubChem (CID 141213196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).