6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole

C14H9BrN4O — CID 116854709

IUPAC6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccc4ncc(Br)n4n3)cc2o1
InChIInChI=1S/C14H9BrN4O/c1-8-17-11-3-2-9(6-12(11)20-8)10-4-5-14-16-7-13(15)19(14)18-10/h2-7H,1H3
InChIKeyYYWHTHVCJBUOLH-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.61
Rot. Bonds1

About 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole

6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole (PubChem CID 116854709) has the molecular formula C14H9BrN4O and a molecular weight of 329.16 g/mol. Its IUPAC name is 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole
PubChem CID116854709
Molecular FormulaC14H9BrN4O
Molecular Weight329.16 g/mol
Exact Mass328.00
IUPAC Name6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(-c3ccc4ncc(Br)n4n3)cc2o1
InChIInChI=1S/C14H9BrN4O/c1-8-17-11-3-2-9(6-12(11)20-8)10-4-5-14-16-7-13(15)19(14)18-10/h2-7H,1H3
InChIKeyYYWHTHVCJBUOLH-UHFFFAOYSA-N
XLogP3.61
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole (CID 116854709) is 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole is Cc1nc2ccc(-c3ccc4ncc(Br)n4n3)cc2o1.
What is the InChIKey of 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole?
The InChIKey is YYWHTHVCJBUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O/c1-8-17-11-3-2-9(6-12(11)20-8)10-4-5-14-16-7-13(15)19(14)18-10/h2-7H,1H3.
What are the key properties of 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole?
6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole has a molecular weight of 329.16 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 116854709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).