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

C21H17FN4O3 — CID 50843788

IUPAC2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(CCc3nc(-c4cccc(F)c4)no3)n2)c1
InChIInChI=1S/C21H17FN4O3/c1-28-17-7-3-4-14(13-17)18-8-9-20(27)26(24-18)11-10-19-23-21(25-29-19)15-5-2-6-16(22)12-15/h2-9,12-13H,10-11H2,1H3
InChIKeyIMYZDULJOPNECW-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.35
Rot. Bonds6

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

2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one (PubChem CID 50843788) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one
PubChem CID50843788
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(CCc3nc(-c4cccc(F)c4)no3)n2)c1
InChIInChI=1S/C21H17FN4O3/c1-28-17-7-3-4-14(13-17)18-8-9-20(27)26(24-18)11-10-19-23-21(25-29-19)15-5-2-6-16(22)12-15/h2-9,12-13H,10-11H2,1H3
InChIKeyIMYZDULJOPNECW-UHFFFAOYSA-N
XLogP3.35
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27374334
6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one
CID 50843609
2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27374332
2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27375081
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one
CID 50843751
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 27375067
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
6-(3,5-difluorophenyl)-2-[[3-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one
CID 24830121
4-fluoro-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110324188

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one (CID 50843788) is 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one is COc1cccc(-c2ccc(=O)n(CCc3nc(-c4cccc(F)c4)no3)n2)c1.
What is the InChIKey of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The InChIKey is IMYZDULJOPNECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-28-17-7-3-4-14(13-17)18-8-9-20(27)26(24-18)11-10-19-23-21(25-29-19)15-5-2-6-16(22)12-15/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one?
2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one has a molecular weight of 392.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 50843788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).