2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C22H16BrN3O — CID 175539672

IUPAC2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESBrc1cccn2cc(C3=NC(c4ccccc4)C(c4ccccc4)O3)nc12
InChIInChI=1S/C22H16BrN3O/c23-17-12-7-13-26-14-18(24-21(17)26)22-25-19(15-8-3-1-4-9-15)20(27-22)16-10-5-2-6-11-16/h1-14,19-20H
InChIKeyXHQCVDYJVNYZAK-UHFFFAOYSA-N
MW418.29 g/mol
LogP5.36
Rot. Bonds3

About 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 175539672) has the molecular formula C22H16BrN3O and a molecular weight of 418.29 g/mol. Its IUPAC name is 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID175539672
Molecular FormulaC22H16BrN3O
Molecular Weight418.29 g/mol
Exact Mass417.05
IUPAC Name2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESBrc1cccn2cc(C3=NC(c4ccccc4)C(c4ccccc4)O3)nc12
InChIInChI=1S/C22H16BrN3O/c23-17-12-7-13-26-14-18(24-21(17)26)22-25-19(15-8-3-1-4-9-15)20(27-22)16-10-5-2-6-11-16/h1-14,19-20H
InChIKeyXHQCVDYJVNYZAK-UHFFFAOYSA-N
XLogP5.36
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 175539672) is 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is Brc1cccn2cc(C3=NC(c4ccccc4)C(c4ccccc4)O3)nc12.
What is the InChIKey of 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XHQCVDYJVNYZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O/c23-17-12-7-13-26-14-18(24-21(17)26)22-25-19(15-8-3-1-4-9-15)20(27-22)16-10-5-2-6-11-16/h1-14,19-20H.
What are the key properties of 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 418.29 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175539672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).