4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C19H18N6O2 — CID 42623098

IUPAC4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1cc(-c2cn3ncccc3n2)cc(-c2noc(CN3CCOCC3)n2)c1
InChIInChI=1S/C19H18N6O2/c1-3-14(16-12-25-17(21-16)5-2-6-20-25)11-15(4-1)19-22-18(27-23-19)13-24-7-9-26-10-8-24/h1-6,11-12H,7-10,13H2
InChIKeyMYVSUIXAYJQREI-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.28
Rot. Bonds4

About 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 42623098) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID42623098
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1cc(-c2cn3ncccc3n2)cc(-c2noc(CN3CCOCC3)n2)c1
InChIInChI=1S/C19H18N6O2/c1-3-14(16-12-25-17(21-16)5-2-6-20-25)11-15(4-1)19-22-18(27-23-19)13-24-7-9-26-10-8-24/h1-6,11-12H,7-10,13H2
InChIKeyMYVSUIXAYJQREI-UHFFFAOYSA-N
XLogP2.28
TPSA81.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine with MolForge

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Related Compounds

3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 42623250
ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 143801666
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
4-[[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine chloride
CID 45108699
1-morpholin-4-yl-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 55478105
(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 74229739
4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 124566854
6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
CID 120840361
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120840366
5-[(3,3-dimethylpiperidin-1-yl)methyl]-3-[3-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
CID 46962368

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 42623098) is 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is c1cc(-c2cn3ncccc3n2)cc(-c2noc(CN3CCOCC3)n2)c1.
What is the InChIKey of 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is MYVSUIXAYJQREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-3-14(16-12-25-17(21-16)5-2-6-20-25)11-15(4-1)19-22-18(27-23-19)13-24-7-9-26-10-8-24/h1-6,11-12H,7-10,13H2.
What are the key properties of 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 362.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 42623098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).