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

C20H15FN4O2 — CID 30850156

IUPAC2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1
InChIInChI=1S/C20H15FN4O2/c1-13-2-4-14(5-3-13)17-10-11-19(26)25(23-17)12-18-22-20(24-27-18)15-6-8-16(21)9-7-15/h2-11H,12H2,1H3
InChIKeyDAGYFTOJRIGHAC-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.46
Rot. Bonds4

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

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 30850156) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID30850156
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1
InChIInChI=1S/C20H15FN4O2/c1-13-2-4-14(5-3-13)17-10-11-19(26)25(23-17)12-18-22-20(24-27-18)15-6-8-16(21)9-7-15/h2-11H,12H2,1H3
InChIKeyDAGYFTOJRIGHAC-UHFFFAOYSA-N
XLogP3.46
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one (CID 30850156) is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is DAGYFTOJRIGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-13-2-4-14(5-3-13)17-10-11-19(26)25(23-17)12-18-22-20(24-27-18)15-6-8-16(21)9-7-15/h2-11H,12H2,1H3.
What are the key properties of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 362.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 30850156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).