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

C18H9Cl2FN4O2 — CID 53135329

IUPAC3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C18H9Cl2FN4O2/c19-11-2-4-12(5-3-11)25-8-7-15(26)16(23-25)18-22-17(24-27-18)10-1-6-13(20)14(21)9-10/h1-9H
InChIKeyPABUZIPCFQUQSQ-UHFFFAOYSA-N
MW403.20 g/mol
LogP4.40
Rot. Bonds3

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

3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one (PubChem CID 53135329) has the molecular formula C18H9Cl2FN4O2 and a molecular weight of 403.20 g/mol. Its IUPAC name is 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one
PubChem CID53135329
Molecular FormulaC18H9Cl2FN4O2
Molecular Weight403.20 g/mol
Exact Mass402.01
IUPAC Name3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C18H9Cl2FN4O2/c19-11-2-4-12(5-3-11)25-8-7-15(26)16(23-25)18-22-17(24-27-18)10-1-6-13(20)14(21)9-10/h1-9H
InChIKeyPABUZIPCFQUQSQ-UHFFFAOYSA-N
XLogP4.40
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one
CID 53135324
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
1-(3-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50840776
1-(3-bromophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135345
1-(3-bromophenyl)-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135346
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
5-[[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076248
3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole
CID 175997002
1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135273

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one?
The IUPAC name of 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one (CID 53135329) is 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one.
What is the SMILES notation for 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one?
The canonical SMILES for 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one is O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccc(Cl)c(F)c2)no1.
What is the InChIKey of 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one?
The InChIKey is PABUZIPCFQUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2FN4O2/c19-11-2-4-12(5-3-11)25-8-7-15(26)16(23-25)18-22-17(24-27-18)10-1-6-13(20)14(21)9-10/h1-9H.
What are the key properties of 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one?
3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one has a molecular weight of 403.20 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one is sourced from PubChem (CID 53135329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).