4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole

C13H15ClN4O — CID 175459027

IUPAC4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2cn3nc(Cl)ccc3n2)=N1
InChIInChI=1S/C13H15ClN4O/c1-13(2,3)9-7-19-12(16-9)8-6-18-11(15-8)5-4-10(14)17-18/h4-6,9H,7H2,1-3H3
InChIKeyHOQMSIUOHYNNHN-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.57
Rot. Bonds1

About 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole

4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 175459027) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID175459027
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2cn3nc(Cl)ccc3n2)=N1
InChIInChI=1S/C13H15ClN4O/c1-13(2,3)9-7-19-12(16-9)8-6-18-11(15-8)5-4-10(14)17-18/h4-6,9H,7H2,1-3H3
InChIKeyHOQMSIUOHYNNHN-UHFFFAOYSA-N
XLogP2.57
TPSA51.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole (CID 175459027) is 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(c2cn3nc(Cl)ccc3n2)=N1.
What is the InChIKey of 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HOQMSIUOHYNNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-13(2,3)9-7-19-12(16-9)8-6-18-11(15-8)5-4-10(14)17-18/h4-6,9H,7H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole?
4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 278.74 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175459027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).