3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid

C18H15N5O5 — CID 42623423

IUPAC3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)O)n2)c1
InChIInChI=1S/C18H15N5O5/c1-26-5-6-27-13-8-11(14-10-23-15(20-14)3-2-4-19-23)7-12(9-13)16-21-17(18(24)25)28-22-16/h2-4,7-10H,5-6H2,1H3,(H,24,25)
InChIKeyYYUWLYIBMVXGOY-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.17
Rot. Bonds7

About 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid

3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 42623423) has the molecular formula C18H15N5O5 and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID42623423
Molecular FormulaC18H15N5O5
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)O)n2)c1
InChIInChI=1S/C18H15N5O5/c1-26-5-6-27-13-8-11(14-10-23-15(20-14)3-2-4-19-23)7-12(9-13)16-21-17(18(24)25)28-22-16/h2-4,7-10H,5-6H2,1H3,(H,24,25)
InChIKeyYYUWLYIBMVXGOY-UHFFFAOYSA-N
XLogP2.17
TPSA124.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid (CID 42623423) is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)O)n2)c1.
What is the InChIKey of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is YYUWLYIBMVXGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O5/c1-26-5-6-27-13-8-11(14-10-23-15(20-14)3-2-4-19-23)7-12(9-13)16-21-17(18(24)25)28-22-16/h2-4,7-10H,5-6H2,1H3,(H,24,25).
What are the key properties of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid?
3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 381.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 42623423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).