ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C19H20N6O3 — CID 143801666

IUPACethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC.O=C(CO)NCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1
InChIInChI=1S/C17H14N6O3.C2H6/c24-10-15(25)18-8-16-21-17(22-26-16)12-4-1-3-11(7-12)13-9-23-14(20-13)5-2-6-19-23;1-2/h1-7,9,24H,8,10H2,(H,18,25);1-2H3
InChIKeyVBFQDMDZRWCJJM-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.08
Rot. Bonds5

About ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 143801666) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Nameethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID143801666
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Nameethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC.O=C(CO)NCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1
InChIInChI=1S/C17H14N6O3.C2H6/c24-10-15(25)18-8-16-21-17(22-26-16)12-4-1-3-11(7-12)13-9-23-14(20-13)5-2-6-19-23;1-2/h1-7,9,24H,8,10H2,(H,18,25);1-2H3
InChIKeyVBFQDMDZRWCJJM-UHFFFAOYSA-N
XLogP2.08
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 42623250
4-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 42623098
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 42623423
2-(2-methylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2997367
2-(2,5-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2987985
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91819251
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229
4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 120562932
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 143801666) is ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC.O=C(CO)NCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1.
What is the InChIKey of ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is VBFQDMDZRWCJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3.C2H6/c24-10-15(25)18-8-16-21-17(22-26-16)12-4-1-3-11(7-12)13-9-23-14(20-13)5-2-6-19-23;1-2/h1-7,9,24H,8,10H2,(H,18,25);1-2H3.
What are the key properties of ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-N-[[3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 143801666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).