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

IUPAC5-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
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3nccn3c2)cc1F.Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nccnc3c2)cc1F
InChIInChI=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
InChIKeyMPUPKDCKNHXHFG-UHFFFAOYSA-N
MW720.59 g/mol
LogP8.95
Rot. Bonds4

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 Name5-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 CID121350178
Molecular FormulaC37H18F6N8O2
Molecular Weight720.59 g/mol
Exact Mass720.15
IUPAC Name5-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
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3nccn3c2)cc1F.Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nccnc3c2)cc1F
InChIInChI=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
InChIKeyMPUPKDCKNHXHFG-UHFFFAOYSA-N
XLogP8.95
TPSA103.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.59
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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).