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

C19H12ClFN4O2 — CID 30849968

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C19H12ClFN4O2/c20-14-7-3-1-5-12(14)19-22-17(27-24-19)11-25-18(26)10-9-16(23-25)13-6-2-4-8-15(13)21/h1-10H,11H2
InChIKeyFQHGFMPLFLRSRO-UHFFFAOYSA-N
MW382.78 g/mol
LogP3.80
Rot. Bonds4

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

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one (PubChem CID 30849968) has the molecular formula C19H12ClFN4O2 and a molecular weight of 382.78 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one
PubChem CID30849968
Molecular FormulaC19H12ClFN4O2
Molecular Weight382.78 g/mol
Exact Mass382.06
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C19H12ClFN4O2/c20-14-7-3-1-5-12(14)19-22-17(27-24-19)11-25-18(26)10-9-16(23-25)13-6-2-4-8-15(13)21/h1-10H,11H2
InChIKeyFQHGFMPLFLRSRO-UHFFFAOYSA-N
XLogP3.80
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one (CID 30849968) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one is O=c1ccc(-c2ccccc2F)nn1Cc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one?
The InChIKey is FQHGFMPLFLRSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2/c20-14-7-3-1-5-12(14)19-22-17(27-24-19)11-25-18(26)10-9-16(23-25)13-6-2-4-8-15(13)21/h1-10H,11H2.
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one has a molecular weight of 382.78 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 30849968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).