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

C18H9F3N4O — CID 121350039

IUPAC5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3nccn3c2)cc1F
InChIInChI=1S/C18H9F3N4O/c19-12-8-14(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
InChIKeyYZIJNTSUYDZDCK-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.33
Rot. Bonds2

About 5-imidazo[1,2-a]pyridin-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 (PubChem CID 121350039) has the molecular formula C18H9F3N4O and a molecular weight of 354.29 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.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID121350039
Molecular FormulaC18H9F3N4O
Molecular Weight354.29 g/mol
Exact Mass354.07
IUPAC Name5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESFc1cc(F)c(-c2nc3occn3c2-c2ccc3nccn3c2)cc1F
InChIInChI=1S/C18H9F3N4O/c19-12-8-14(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
InChIKeyYZIJNTSUYDZDCK-UHFFFAOYSA-N
XLogP4.33
TPSA47.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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?
The IUPAC name of 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 121350039) is 5-imidazo[1,2-a]pyridin-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?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole is Fc1cc(F)c(-c2nc3occn3c2-c2ccc3nccn3c2)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?
The InChIKey is YZIJNTSUYDZDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N4O/c19-12-8-14(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.
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-imidazo[1,2-a]pyridin-6-yl-6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 354.29 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 121350039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).