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

C20H14ClFN4O2 — CID 50843609

IUPAC6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Cl)c2)nn1CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H14ClFN4O2/c21-15-3-1-2-14(12-15)17-8-9-19(27)26(24-17)11-10-18-23-20(25-28-18)13-4-6-16(22)7-5-13/h1-9,12H,10-11H2
InChIKeyVCLSUPWJCTULAB-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.00
Rot. Bonds5

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

6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one (PubChem CID 50843609) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one
PubChem CID50843609
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Cl)c2)nn1CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H14ClFN4O2/c21-15-3-1-2-14(12-15)17-8-9-19(27)26(24-17)11-10-18-23-20(25-28-18)13-4-6-16(22)7-5-13/h1-9,12H,10-11H2
InChIKeyVCLSUPWJCTULAB-UHFFFAOYSA-N
XLogP4.00
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 50843788
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one
CID 50843751
3-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 20932408
6-(4-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077269
6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
CID 24829949
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9181748
6-(4-propan-2-ylphenyl)-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one
CID 53142099
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 27375113
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077346
6-(3,4-dimethylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 27374986

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one (CID 50843609) is 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one is O=c1ccc(-c2cccc(Cl)c2)nn1CCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one?
The InChIKey is VCLSUPWJCTULAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-15-3-1-2-14(12-15)17-8-9-19(27)26(24-17)11-10-18-23-20(25-28-18)13-4-6-16(22)7-5-13/h1-9,12H,10-11H2.
What are the key properties of 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one?
6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one has a molecular weight of 396.81 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 50843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).