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

C19H13FN4O3 — CID 50840730

IUPAC3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one
SMILESCOc1ccc(-n2ccc(=O)c(-c3nc(-c4cccc(F)c4)no3)n2)cc1
InChIInChI=1S/C19H13FN4O3/c1-26-15-7-5-14(6-8-15)24-10-9-16(25)17(22-24)19-21-18(23-27-19)12-3-2-4-13(20)11-12/h2-11H,1H3
InChIKeyUEJXEUVJGGQYIO-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.10
Rot. Bonds4

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

3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one (PubChem CID 50840730) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one
PubChem CID50840730
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one
SMILESCOc1ccc(-n2ccc(=O)c(-c3nc(-c4cccc(F)c4)no3)n2)cc1
InChIInChI=1S/C19H13FN4O3/c1-26-15-7-5-14(6-8-15)24-10-9-16(25)17(22-24)19-21-18(23-27-19)12-3-2-4-13(20)11-12/h2-11H,1H3
InChIKeyUEJXEUVJGGQYIO-UHFFFAOYSA-N
XLogP3.10
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-3-[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50841022
1-(3-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50840776
3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one
CID 53135329
1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135273
3-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)pyridazin-4-one
CID 53135243
1-(3-bromophenyl)-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135346
1-(3-bromophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135345
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 50928266
2-(4-methoxyphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928286
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one
CID 53135324
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one?
The IUPAC name of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one (CID 50840730) is 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one?
The canonical SMILES for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one is COc1ccc(-n2ccc(=O)c(-c3nc(-c4cccc(F)c4)no3)n2)cc1.
What is the InChIKey of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one?
The InChIKey is UEJXEUVJGGQYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c1-26-15-7-5-14(6-8-15)24-10-9-16(25)17(22-24)19-21-18(23-27-19)12-3-2-4-13(20)11-12/h2-11H,1H3.
What are the key properties of 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one?
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one has a molecular weight of 364.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one is sourced from PubChem (CID 50840730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).