3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

C20H24FN5O3S — CID 99992508

IUPAC3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H24FN5O3S/c1-13-19(14(2)25(3)23-13)30(27,28)26-10-6-7-15(12-26)11-18-22-20(24-29-18)16-8-4-5-9-17(16)21/h4-5,8-9,15H,6-7,10-12H2,1-3H3/t15-/m1/s1
InChIKeyRCYLUDLLGBWVIJ-OAHLLOKOSA-N
MW433.51 g/mol
LogP2.87
Rot. Bonds5

About 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99992508) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID99992508
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C20H24FN5O3S/c1-13-19(14(2)25(3)23-13)30(27,28)26-10-6-7-15(12-26)11-18-22-20(24-29-18)16-8-4-5-9-17(16)21/h4-5,8-9,15H,6-7,10-12H2,1-3H3/t15-/m1/s1
InChIKeyRCYLUDLLGBWVIJ-OAHLLOKOSA-N
XLogP2.87
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 99992508) is 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is RCYLUDLLGBWVIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c1-13-19(14(2)25(3)23-13)30(27,28)26-10-6-7-15(12-26)11-18-22-20(24-29-18)16-8-4-5-9-17(16)21/h4-5,8-9,15H,6-7,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 433.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99992508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).