5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine

C29H19N11O3S — CID 141220907

About 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine

5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine (PubChem CID 141220907) has the molecular formula C29H19N11O3S and a molecular weight of 601.61 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine.

Molecular Properties

• Compound Name: 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine
• PubChem CID: 141220907
• Molecular Formula: C29H19N11O3S
• Molecular Weight: 601.61 g/mol
• Exact Mass: 601.14
• IUPAC Name: 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine
• SMILES: c1ccc(-c2coc(C3(c4ncccn4)N(c4cnccn4)N(c4cccs4)OC3(c3cccnn3)c3ccon3)n2)nc1
• InChI: InChI=1S/C29H19N11O3S/c1-2-10-31-20(6-1)21-19-41-27(36-21)28(26-33-11-5-12-34-26)29(23-9-16-42-38-23,22-7-3-13-35-37-22)43-40(25-8-4-17-44-25)39(28)24-18-30-14-15-32-24/h1-19H
• InChIKey: HUUWOZIPRTVTLE-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 158.00 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.61
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine?

The IUPAC name of 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine (CID 141220907) is 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine.

What is the SMILES notation for 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine?

The canonical SMILES for 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine is c1ccc(-c2coc(C3(c4ncccn4)N(c4cnccn4)N(c4cccs4)OC3(c3cccnn3)c3ccon3)n2)nc1.

What is the InChIKey of 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine?

The InChIKey is HUUWOZIPRTVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N11O3S/c1-2-10-31-20(6-1)21-19-41-27(36-21)28(26-33-11-5-12-34-26)29(23-9-16-42-38-23,22-7-3-13-35-37-22)43-40(25-8-4-17-44-25)39(28)24-18-30-14-15-32-24/h1-19H.

What are the key properties of 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine?

5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine has a molecular weight of 601.61 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-(4-pyridin-2-yl-1,3-oxazol-2-yl)-4-pyrimidin-2-yl-2-thiophen-2-yloxadiazolidine is sourced from PubChem (CID 141220907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).