3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine

C25H17N9O2S2 — CID 141051114

About 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine

3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine (PubChem CID 141051114) has the molecular formula C25H17N9O2S2 and a molecular weight of 539.61 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
• PubChem CID: 141051114
• Molecular Formula: C25H17N9O2S2
• Molecular Weight: 539.61 g/mol
• Exact Mass: 539.09
• IUPAC Name: 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
• SMILES: c1ccc(N2OC(c3cnccn3)C(c3cccnn3)(c3nccs3)C2(c2ccsn2)c2ncco2)nc1
• InChI: InChI=1S/C25H17N9O2S2/c1-2-7-28-20(5-1)34-25(19-6-14-38-33-19,22-29-11-13-35-22)24(23-30-12-15-37-23,18-4-3-8-31-32-18)21(36-34)17-16-26-9-10-27-17/h1-16,21H
• InChIKey: SRZHIXCHYAHRDU-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 128.73 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.61
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine (CID 141051114) is 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine.

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

The canonical SMILES for 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine is c1ccc(N2OC(c3cnccn3)C(c3cccnn3)(c3nccs3)C2(c2ccsn2)c2ncco2)nc1.

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

The InChIKey is SRZHIXCHYAHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N9O2S2/c1-2-7-28-20(5-1)34-25(19-6-14-38-33-19,22-29-11-13-35-22)24(23-30-12-15-37-23,18-4-3-8-31-32-18)21(36-34)17-16-26-9-10-27-17/h1-16,21H.

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

3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine has a molecular weight of 539.61 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine is sourced from PubChem (CID 141051114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).