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

C26H22N10O3 — CID 141014612

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

3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine (PubChem CID 141014612) has the molecular formula C26H22N10O3 and a molecular weight of 522.53 g/mol. Its IUPAC name is 3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine
• PubChem CID: 141014612
• Molecular Formula: C26H22N10O3
• Molecular Weight: 522.53 g/mol
• Exact Mass: 522.19
• IUPAC Name: 3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine
• SMILES: c1ccc(C2(c3ncco3)C(c3cccnn3)ON(c3ncccn3)C2(c2cnccn2)C2NCCO2)nc1
• InChI: InChI=1S/C26H22N10O3/c1-2-7-28-19(6-1)25(22-30-13-15-37-22)21(18-5-3-10-34-35-18)39-36(24-32-8-4-9-33-24)26(25,23-31-14-16-38-23)20-17-27-11-12-29-20/h1-13,15,17,21,23,31H,14,16H2
• InChIKey: FELPJIOPQFKYES-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 149.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.53
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine (CID 141014612) is 3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine.

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

The canonical SMILES for 3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine is c1ccc(C2(c3ncco3)C(c3cccnn3)ON(c3ncccn3)C2(c2cnccn2)C2NCCO2)nc1.

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

The InChIKey is FELPJIOPQFKYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N10O3/c1-2-7-28-19(6-1)25(22-30-13-15-37-22)21(18-5-3-10-34-35-18)39-36(24-32-8-4-9-33-24)26(25,23-31-14-16-38-23)20-17-27-11-12-29-20/h1-13,15,17,21,23,31H,14,16H2.

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

3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine has a molecular weight of 522.53 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141014612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).