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

C18H16FN5O3 — CID 42623171

IUPAC5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(CF)n2)c1
InChIInChI=1S/C18H16FN5O3/c1-25-5-6-26-14-8-12(15-11-24-16(21-15)3-2-4-20-24)7-13(9-14)18-22-17(10-19)27-23-18/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyZXJRZUTUVXBIRE-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.94
Rot. Bonds7

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

5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 42623171) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID42623171
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(CF)n2)c1
InChIInChI=1S/C18H16FN5O3/c1-25-5-6-26-14-8-12(15-11-24-16(21-15)3-2-4-20-24)7-13(9-14)18-22-17(10-19)27-23-18/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyZXJRZUTUVXBIRE-UHFFFAOYSA-N
XLogP2.94
TPSA87.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.94
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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Related Compounds

3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
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Lmtk3-IN-1
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CID 168282980
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2,2-trimethylpropanamide
CID 168291872
2-(1,3-Benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
CID 10542018
6-(Cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11221464
4-[2-[3-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074
2-[4-(2-Methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
CID 11381836
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
N-[6-[6-amino-5-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59252083
1-(2,3-dihydro-benzofuran-5-ylmethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazine
CID 59341790
6-Benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole (CID 42623171) is 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(CF)n2)c1.
What is the InChIKey of 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZXJRZUTUVXBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-25-5-6-26-14-8-12(15-11-24-16(21-15)3-2-4-20-24)7-13(9-14)18-22-17(10-19)27-23-18/h2-4,7-9,11H,5-6,10H2,1H3.
What are the key properties of 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole?
5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 369.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42623171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).