5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

C19H13FN4OS — CID 50785968

IUPAC5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-c1ccc(SCc2nc(-c3ccccc3)no2)nn1
InChIInChI=1S/C19H13FN4OS/c20-15-9-5-4-8-14(15)16-10-11-18(23-22-16)26-12-17-21-19(24-25-17)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyCOQHINRBQMXSSY-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.62
Rot. Bonds5

About 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50785968) has the molecular formula C19H13FN4OS and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50785968
Molecular FormulaC19H13FN4OS
Molecular Weight364.41 g/mol
Exact Mass364.08
IUPAC Name5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-c1ccc(SCc2nc(-c3ccccc3)no2)nn1
InChIInChI=1S/C19H13FN4OS/c20-15-9-5-4-8-14(15)16-10-11-18(23-22-16)26-12-17-21-19(24-25-17)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyCOQHINRBQMXSSY-UHFFFAOYSA-N
XLogP4.62
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 50785968) is 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is Fc1ccccc1-c1ccc(SCc2nc(-c3ccccc3)no2)nn1.
What is the InChIKey of 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is COQHINRBQMXSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4OS/c20-15-9-5-4-8-14(15)16-10-11-18(23-22-16)26-12-17-21-19(24-25-17)13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 364.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).