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

C19H19N5O4 — CID 42623170

IUPAC3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(COC)n2)c1
InChIInChI=1S/C19H19N5O4/c1-25-6-7-27-15-9-13(16-11-24-17(21-16)4-3-5-20-24)8-14(10-15)19-22-18(12-26-2)28-23-19/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyMUCPHMGJNFHLTC-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.62
Rot. Bonds8

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

3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 42623170) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID42623170
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(COC)n2)c1
InChIInChI=1S/C19H19N5O4/c1-25-6-7-27-15-9-13(16-11-24-17(21-16)4-3-5-20-24)8-14(10-15)19-22-18(12-26-2)28-23-19/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyMUCPHMGJNFHLTC-UHFFFAOYSA-N
XLogP2.62
TPSA96.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
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]-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole (CID 42623170) is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(COC)n2)c1.
What is the InChIKey of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is MUCPHMGJNFHLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-25-6-7-27-15-9-13(16-11-24-17(21-16)4-3-5-20-24)8-14(10-15)19-22-18(12-26-2)28-23-19/h3-5,8-11H,6-7,12H2,1-2H3.
What are the key properties of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 381.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 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]-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42623170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).