1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone

C21H17N5O3 — CID 53054493

IUPAC1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
SMILESCOc1ccc(-c2noc(-c3ccc(Nc4cccc(C(C)=O)c4)nn3)n2)cc1
InChIInChI=1S/C21H17N5O3/c1-13(27)15-4-3-5-16(12-15)22-19-11-10-18(24-25-19)21-23-20(26-29-21)14-6-8-17(28-2)9-7-14/h3-12H,1-2H3,(H,22,25)
InChIKeyPAPCPJKXTUMMAX-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.15
Rot. Bonds6

About 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone

1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone (PubChem CID 53054493) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
PubChem CID53054493
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
SMILESCOc1ccc(-c2noc(-c3ccc(Nc4cccc(C(C)=O)c4)nn3)n2)cc1
InChIInChI=1S/C21H17N5O3/c1-13(27)15-4-3-5-16(12-15)22-19-11-10-18(24-25-19)21-23-20(26-29-21)14-6-8-17(28-2)9-7-14/h3-12H,1-2H3,(H,22,25)
InChIKeyPAPCPJKXTUMMAX-UHFFFAOYSA-N
XLogP4.15
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpyridazin-3-amine
CID 53021998
N-(2-methoxy-5-methylphenyl)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054516
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113049082
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122555
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone (CID 53054493) is 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone is COc1ccc(-c2noc(-c3ccc(Nc4cccc(C(C)=O)c4)nn3)n2)cc1.
What is the InChIKey of 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone?
The InChIKey is PAPCPJKXTUMMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-13(27)15-4-3-5-16(12-15)22-19-11-10-18(24-25-19)21-23-20(26-29-21)14-6-8-17(28-2)9-7-14/h3-12H,1-2H3,(H,22,25).
What are the key properties of 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone?
1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone has a molecular weight of 387.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 53054493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).