5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine

C26H18N10O3S2 — CID 141223365

About 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine

5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine (PubChem CID 141223365) has the molecular formula C26H18N10O3S2 and a molecular weight of 582.63 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine.

Molecular Properties

• Compound Name: 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine
• PubChem CID: 141223365
• Molecular Formula: C26H18N10O3S2
• Molecular Weight: 582.63 g/mol
• Exact Mass: 582.10
• IUPAC Name: 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine
• SMILES: c1c[nH]c(-c2ccnnc2C2(c3nccs3)N(c3ncco3)N(c3ccsn3)OC2(c2ccon2)c2ccc[nH]2)c1
• InChI: InChI=1S/C26H18N10O3S2/c1-3-18(27-8-1)17-5-10-31-32-22(17)25(23-29-12-16-40-23)26(19-4-2-9-28-19,20-6-13-38-33-20)39-36(21-7-15-41-34-21)35(25)24-30-11-14-37-24/h1-16,27-28H
• InChIKey: JLJFLLKMWDTCIE-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 150.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.63
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine (CID 141223365) is 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine.

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

The canonical SMILES for 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine is c1c[nH]c(-c2ccnnc2C2(c3nccs3)N(c3ncco3)N(c3ccsn3)OC2(c2ccon2)c2ccc[nH]2)c1.

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

The InChIKey is JLJFLLKMWDTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N10O3S2/c1-3-18(27-8-1)17-5-10-31-32-22(17)25(23-29-12-16-40-23)26(19-4-2-9-28-19,20-6-13-38-33-20)39-36(21-7-15-41-34-21)35(25)24-30-11-14-37-24/h1-16,27-28H.

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

5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine has a molecular weight of 582.63 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-4-[4-(1H-pyrrol-2-yl)pyridazin-3-yl]-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)oxadiazolidine is sourced from PubChem (CID 141223365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).