2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole

C15H12N4O — CID 116854898

IUPAC2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3ccc4oc(C)nc4c3)ccc2n1
InChIInChI=1S/C15H12N4O/c1-9-8-19-15(16-9)6-4-12(18-19)11-3-5-14-13(7-11)17-10(2)20-14/h3-8H,1-2H3
InChIKeyIELWDDPUDWBWBH-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.15
Rot. Bonds1

About 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole

2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole (PubChem CID 116854898) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole
PubChem CID116854898
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3ccc4oc(C)nc4c3)ccc2n1
InChIInChI=1S/C15H12N4O/c1-9-8-19-15(16-9)6-4-12(18-19)11-3-5-14-13(7-11)17-10(2)20-14/h3-8H,1-2H3
InChIKeyIELWDDPUDWBWBH-UHFFFAOYSA-N
XLogP3.15
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole (CID 116854898) is 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole is Cc1cn2nc(-c3ccc4oc(C)nc4c3)ccc2n1.
What is the InChIKey of 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole?
The InChIKey is IELWDDPUDWBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-9-8-19-15(16-9)6-4-12(18-19)11-3-5-14-13(7-11)17-10(2)20-14/h3-8H,1-2H3.
What are the key properties of 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole?
2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole has a molecular weight of 264.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 116854898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).