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

C18H16N6O4 — CID 42623422

IUPAC3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(N)=O)n2)c1
InChIInChI=1S/C18H16N6O4/c1-26-5-6-27-13-8-11(14-10-24-15(21-14)3-2-4-20-24)7-12(9-13)17-22-18(16(19)25)28-23-17/h2-4,7-10H,5-6H2,1H3,(H2,19,25)
InChIKeyRYPRUBNQCXNMJF-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.57
Rot. Bonds7

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

3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42623422) has the molecular formula C18H16N6O4 and a molecular weight of 380.36 g/mol. Its IUPAC name is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID42623422
Molecular FormulaC18H16N6O4
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(N)=O)n2)c1
InChIInChI=1S/C18H16N6O4/c1-26-5-6-27-13-8-11(14-10-24-15(21-14)3-2-4-20-24)7-12(9-13)17-22-18(16(19)25)28-23-17/h2-4,7-10H,5-6H2,1H3,(H2,19,25)
InChIKeyRYPRUBNQCXNMJF-UHFFFAOYSA-N
XLogP1.57
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-carboxamide?
The IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 42623422) is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(N)=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-carboxamide?
The InChIKey is RYPRUBNQCXNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4/c1-26-5-6-27-13-8-11(14-10-24-15(21-14)3-2-4-20-24)7-12(9-13)17-22-18(16(19)25)28-23-17/h2-4,7-10H,5-6H2,1H3,(H2,19,25).
What are the key properties of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide?
3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 1.57, 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-carboxamide is sourced from PubChem (CID 42623422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).