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

C20H16N4O3 — CID 53135273

IUPAC1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
SMILESCOc1cccc(-n2ccc(=O)c(-c3nc(-c4ccccc4C)no3)n2)c1
InChIInChI=1S/C20H16N4O3/c1-13-6-3-4-9-16(13)19-21-20(27-23-19)18-17(25)10-11-24(22-18)14-7-5-8-15(12-14)26-2/h3-12H,1-2H3
InChIKeyOZACWWALQKOOKW-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.27
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one (PubChem CID 53135273) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
PubChem CID53135273
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
SMILESCOc1cccc(-n2ccc(=O)c(-c3nc(-c4ccccc4C)no3)n2)c1
InChIInChI=1S/C20H16N4O3/c1-13-6-3-4-9-16(13)19-21-20(27-23-19)18-17(25)10-11-24(22-18)14-7-5-8-15(12-14)26-2/h3-12H,1-2H3
InChIKeyOZACWWALQKOOKW-UHFFFAOYSA-N
XLogP3.27
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one
CID 50840730
3-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)pyridazin-4-one
CID 53135243
1-(4-methoxyphenyl)-3-[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50841022
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 20904219
1-(3-bromophenyl)-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135346
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477
1-(3-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50840776
3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
CID 1479688
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63950822
3-[2-(8-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-1-(3-methoxyphenyl)pyridazin-4-one
CID 71111477

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one (CID 53135273) is 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one is COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccccc4C)no3)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one?
The InChIKey is OZACWWALQKOOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-13-6-3-4-9-16(13)19-21-20(27-23-19)18-17(25)10-11-24(22-18)14-7-5-8-15(12-14)26-2/h3-12H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one?
1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one has a molecular weight of 360.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one is sourced from PubChem (CID 53135273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).