5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

C18H15FN6OS — CID 95919322

IUPAC5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2nccnc2SCc2nc(-c3cccc(F)c3)no2)n1
InChIInChI=1S/C18H15FN6OS/c1-11-8-12(2)25(23-11)17-18(21-7-6-20-17)27-10-15-22-16(24-26-15)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3
InChIKeyJLRATUHUXYQSJF-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.76
Rot. Bonds5

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

5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 95919322) has the molecular formula C18H15FN6OS and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID95919322
Molecular FormulaC18H15FN6OS
Molecular Weight382.42 g/mol
Exact Mass382.10
IUPAC Name5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2nccnc2SCc2nc(-c3cccc(F)c3)no2)n1
InChIInChI=1S/C18H15FN6OS/c1-11-8-12(2)25(23-11)17-18(21-7-6-20-17)27-10-15-22-16(24-26-15)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3
InChIKeyJLRATUHUXYQSJF-UHFFFAOYSA-N
XLogP3.76
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 95919305
3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 95921539
3-(4-methylsulfanylphenyl)-5-[(3-piperidin-1-ylpyrazin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 95919482
5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 38079955
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678763
3-(3-chlorophenyl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 9399417
2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95921033
2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine
CID 154883813
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
3-(3-fluorophenyl)-5-[(6-thiomorpholin-4-ylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 95918162
3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 71943476
3-(4-tert-butylphenyl)-5-[(3-piperidin-1-ylpyrazin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 95919484

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (CID 95919322) is 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is Cc1cc(C)n(-c2nccnc2SCc2nc(-c3cccc(F)c3)no2)n1.
What is the InChIKey of 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is JLRATUHUXYQSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6OS/c1-11-8-12(2)25(23-11)17-18(21-7-6-20-17)27-10-15-22-16(24-26-15)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 382.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 95919322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).