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

C19H12F2N4OS — CID 50785927

IUPAC3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1
InChIInChI=1S/C19H12F2N4OS/c20-14-5-1-12(2-6-14)16-9-10-18(24-23-16)27-11-17-22-19(25-26-17)13-3-7-15(21)8-4-13/h1-10H,11H2
InChIKeyRNQFSBVUUGPKMC-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.76
Rot. Bonds5

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

3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 50785927) has the molecular formula C19H12F2N4OS and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID50785927
Molecular FormulaC19H12F2N4OS
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1
InChIInChI=1S/C19H12F2N4OS/c20-14-5-1-12(2-6-14)16-9-10-18(24-23-16)27-11-17-22-19(25-26-17)13-3-7-15(21)8-4-13/h1-10H,11H2
InChIKeyRNQFSBVUUGPKMC-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-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 50785927) is 3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is Fc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is RNQFSBVUUGPKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4OS/c20-14-5-1-12(2-6-14)16-9-10-18(24-23-16)27-11-17-22-19(25-26-17)13-3-7-15(21)8-4-13/h1-10H,11H2.
What are the key properties of 3-(4-fluorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[[6-(4-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-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50785927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).