5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole

C₃₇H₁₈F₆N₈O₂ — CID 121350178

About 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole

5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 121350178) has the molecular formula C₃₇H₁₈F₆N₈O₂ and a molecular weight of 720.59 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

• Compound Name: 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
• PubChem CID: 121350178
• Molecular Formula: C₃₇H₁₈F₆N₈O₂
• Molecular Weight: 720.59 g/mol
• Exact Mass: 720.15
• IUPAC Name: 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
• SMILES: Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nccn3c2)cc1F.Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nccnc3c2)cc1F
• InChI: InChI=1S/C19H9F3N4O.C18H9F3N4O/c20-12-9-14(22)13(21)8-11(12)17-18(26-5-6-27-19(26)25-17)10-1-2-15-16(7-10)24-4-3-23-15;19-12-8-14(21)13(20)7-11(12)16-17(25-5-6-26-18(25)23-16)10-1-2-15-22-3-4-24(15)9-10/h1-9H;1-9H
• InChIKey: MPUPKDCKNHXHFG-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 103.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.59
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?

The IUPAC name of 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 121350178) is 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole.

What is the SMILES notation for 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?

The canonical SMILES for 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nccn3c2)cc1F.Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nccnc3c2)cc1F.

What is the InChIKey of 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?

The InChIKey is MPUPKDCKNHXHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F3N4O.C18H9F3N4O/c20-12-9-14(22)13(21)8-11(12)17-18(26-5-6-27-19(26)25-17)10-1-2-15-16(7-10)24-4-3-23-15;19-12-8-14(21)13(20)7-11(12)16-17(25-5-6-26-18(25)23-16)10-1-2-15-22-3-4-24(15)9-10/h1-9H;1-9H.

What are the key properties of 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole?

5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 720.59 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole;5-quinoxalin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 121350178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121350178 — identifiers, structure, computed properties (public domain)

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