3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole

C11H10IN3O — CID 89070587

IUPAC3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccn3c(I)cnc3c2)=NO1
InChIInChI=1S/C11H10IN3O/c1-7-4-9(14-16-7)8-2-3-15-10(12)6-13-11(15)5-8/h2-3,5-7H,4H2,1H3
InChIKeyXWEFOCZJYDWYQH-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.45
Rot. Bonds1

About 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole

3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 89070587) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID89070587
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2ccn3c(I)cnc3c2)=NO1
InChIInChI=1S/C11H10IN3O/c1-7-4-9(14-16-7)8-2-3-15-10(12)6-13-11(15)5-8/h2-3,5-7H,4H2,1H3
InChIKeyXWEFOCZJYDWYQH-UHFFFAOYSA-N
XLogP2.45
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-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 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole (CID 89070587) is 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole is CC1CC(c2ccn3c(I)cnc3c2)=NO1.
What is the InChIKey of 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is XWEFOCZJYDWYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-7-4-9(14-16-7)8-2-3-15-10(12)6-13-11(15)5-8/h2-3,5-7H,4H2,1H3.
What are the key properties of 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole?
3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 327.13 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89070587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).