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

C19H12F2N4OS — CID 50743322

IUPAC3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1
InChIInChI=1S/C19H12F2N4OS/c20-13-7-5-12(6-8-13)19-22-17(26-25-19)11-27-18-10-9-16(23-24-18)14-3-1-2-4-15(14)21/h1-10H,11H2
InChIKeyCCFBNODGJRCUPR-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.76
Rot. Bonds5

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

3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 50743322) has the molecular formula C19H12F2N4OS and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID50743322
Molecular FormulaC19H12F2N4OS
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1
InChIInChI=1S/C19H12F2N4OS/c20-13-7-5-12(6-8-13)19-22-17(26-25-19)11-27-18-10-9-16(23-24-18)14-3-1-2-4-15(14)21/h1-10H,11H2
InChIKeyCCFBNODGJRCUPR-UHFFFAOYSA-N
XLogP4.76
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 50743322) is 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is Fc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is CCFBNODGJRCUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4OS/c20-13-7-5-12(6-8-13)19-22-17(26-25-19)11-27-18-10-9-16(23-24-18)14-3-1-2-4-15(14)21/h1-10H,11H2.
What are the key properties of 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 382.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50743322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).