6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one

C22H20N4O2 — CID 50843646

IUPAC6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CCc3nc(-c4ccccc4)no3)n2)cc1
InChIInChI=1S/C22H20N4O2/c1-2-16-8-10-17(11-9-16)19-12-13-21(27)26(24-19)15-14-20-23-22(25-28-20)18-6-4-3-5-7-18/h3-13H,2,14-15H2,1H3
InChIKeyZEJJUMVFBXHXOX-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.77
Rot. Bonds6

About 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one

6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one (PubChem CID 50843646) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one
PubChem CID50843646
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CCc3nc(-c4ccccc4)no3)n2)cc1
InChIInChI=1S/C22H20N4O2/c1-2-16-8-10-17(11-9-16)19-12-13-21(27)26(24-19)15-14-20-23-22(25-28-20)18-6-4-3-5-7-18/h3-13H,2,14-15H2,1H3
InChIKeyZEJJUMVFBXHXOX-UHFFFAOYSA-N
XLogP3.77
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one (CID 50843646) is 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one is CCc1ccc(-c2ccc(=O)n(CCc3nc(-c4ccccc4)no3)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one?
The InChIKey is ZEJJUMVFBXHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-2-16-8-10-17(11-9-16)19-12-13-21(27)26(24-19)15-14-20-23-22(25-28-20)18-6-4-3-5-7-18/h3-13H,2,14-15H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one?
6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one has a molecular weight of 372.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 50843646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).