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

C18H17N5O3 — CID 42623172

IUPAC3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C)n2)c1
InChIInChI=1S/C18H17N5O3/c1-12-20-18(22-26-12)14-8-13(9-15(10-14)25-7-6-24-2)16-11-23-17(21-16)4-3-5-19-23/h3-5,8-11H,6-7H2,1-2H3
InChIKeySZROAHNZSADXEY-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.78
Rot. Bonds6

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

3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 42623172) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID42623172
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C)n2)c1
InChIInChI=1S/C18H17N5O3/c1-12-20-18(22-26-12)14-8-13(9-15(10-14)25-7-6-24-2)16-11-23-17(21-16)4-3-5-19-23/h3-5,8-11H,6-7H2,1-2H3
InChIKeySZROAHNZSADXEY-UHFFFAOYSA-N
XLogP2.78
TPSA87.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole (CID 42623172) is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C)n2)c1.
What is the InChIKey of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is SZROAHNZSADXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-20-18(22-26-12)14-8-13(9-15(10-14)25-7-6-24-2)16-11-23-17(21-16)4-3-5-19-23/h3-5,8-11H,6-7H2,1-2H3.
What are the key properties of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole?
3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 351.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 42623172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).