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

C20H15FN4O2 — CID 24829949

IUPAC6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1nc(-c2cccc(Cn3nc(-c4ccc(F)cc4)ccc3=O)c2)no1
InChIInChI=1S/C20H15FN4O2/c1-13-22-20(24-27-13)16-4-2-3-14(11-16)12-25-19(26)10-9-18(23-25)15-5-7-17(21)8-6-15/h2-11H,12H2,1H3
InChIKeyXPOIMNDMJKQAEJ-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.46
Rot. Bonds4

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

6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one (PubChem CID 24829949) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
PubChem CID24829949
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1nc(-c2cccc(Cn3nc(-c4ccc(F)cc4)ccc3=O)c2)no1
InChIInChI=1S/C20H15FN4O2/c1-13-22-20(24-27-13)16-4-2-3-14(11-16)12-25-19(26)10-9-18(23-25)15-5-7-17(21)8-6-15/h2-11H,12H2,1H3
InChIKeyXPOIMNDMJKQAEJ-UHFFFAOYSA-N
XLogP3.46
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316
6-(3,5-difluorophenyl)-2-[[3-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one
CID 24830121
6-(3,5-difluorophenyl)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyridazin-3-one
CID 24830125
2-[[3-[5-(butylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143623684
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 87023120
6-(4-bromophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077308
2-[[3-[5-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-6-(3,4,5-trifluorophenyl)pyridazin-3-one
CID 59534573
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 53157215
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166
6-(3,5-difluorophenyl)-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyridazin-3-one
CID 59534559
6-(3,4-dimethylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 27374986
2-[(3-aminophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143480951

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one (CID 24829949) is 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one is Cc1nc(-c2cccc(Cn3nc(-c4ccc(F)cc4)ccc3=O)c2)no1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one?
The InChIKey is XPOIMNDMJKQAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-13-22-20(24-27-13)16-4-2-3-14(11-16)12-25-19(26)10-9-18(23-25)15-5-7-17(21)8-6-15/h2-11H,12H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one has a molecular weight of 362.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 24829949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).