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

C20H21N5O4 — CID 42623425

IUPAC5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole
SMILESCCOCc1nc(-c2cc(OCCOC)cc(-c3cn4ncccc4n3)c2)no1
InChIInChI=1S/C20H21N5O4/c1-3-27-13-19-23-20(24-29-19)15-9-14(10-16(11-15)28-8-7-26-2)17-12-25-18(22-17)5-4-6-21-25/h4-6,9-12H,3,7-8,13H2,1-2H3
InChIKeyCUNUPDZFTBJWHW-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.01
Rot. Bonds9

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

5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 42623425) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID42623425
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole
SMILESCCOCc1nc(-c2cc(OCCOC)cc(-c3cn4ncccc4n3)c2)no1
InChIInChI=1S/C20H21N5O4/c1-3-27-13-19-23-20(24-29-19)15-9-14(10-16(11-15)28-8-7-26-2)17-12-25-18(22-17)5-4-6-21-25/h4-6,9-12H,3,7-8,13H2,1-2H3
InChIKeyCUNUPDZFTBJWHW-UHFFFAOYSA-N
XLogP3.01
TPSA96.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.01
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 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole (CID 42623425) is 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole is CCOCc1nc(-c2cc(OCCOC)cc(-c3cn4ncccc4n3)c2)no1.
What is the InChIKey of 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is CUNUPDZFTBJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-3-27-13-19-23-20(24-29-19)15-9-14(10-16(11-15)28-8-7-26-2)17-12-25-18(22-17)5-4-6-21-25/h4-6,9-12H,3,7-8,13H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 395.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42623425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).