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

C29H20N10O2S2 — CID 140985954

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

2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole (PubChem CID 140985954) has the molecular formula C29H20N10O2S2 and a molecular weight of 604.68 g/mol. Its IUPAC name is 2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole
• PubChem CID: 140985954
• Molecular Formula: C29H20N10O2S2
• Molecular Weight: 604.68 g/mol
• Exact Mass: 604.12
• IUPAC Name: 2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole
• SMILES: c1ccc(C2C(c3ccsn3)=C(c3ccon3)N(c3ncco3)N(c3nccs3)C2(c2ncccn2)c2ccc[nH]2)nc1
• InChI: InChI=1S/C29H20N10O2S2/c1-2-9-30-20(5-1)24-23(19-8-17-43-37-19)25(21-7-15-41-36-21)38(27-34-13-16-40-27)39(28-35-14-18-42-28)29(24,22-6-3-10-31-22)26-32-11-4-12-33-26/h1-18,24,31H
• InChIKey: YKOPCMWYZPHGRW-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 138.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	604.68
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole (CID 140985954) is 2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole is c1ccc(C2C(c3ccsn3)=C(c3ccon3)N(c3ncco3)N(c3nccs3)C2(c2ncccn2)c2ccc[nH]2)nc1.

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

The InChIKey is YKOPCMWYZPHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N10O2S2/c1-2-9-30-20(5-1)24-23(19-8-17-43-37-19)25(21-7-15-41-36-21)38(27-34-13-16-40-27)39(28-35-14-18-42-28)29(24,22-6-3-10-31-22)26-32-11-4-12-33-26/h1-18,24,31H.

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

2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole has a molecular weight of 604.68 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole is sourced from PubChem (CID 140985954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).