5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

C21H20F3N3O5S — CID 92678496

IUPAC5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)C3)no2)cc1
InChIInChI=1S/C21H20F3N3O5S/c1-30-16-6-4-14(5-7-16)20-25-19(26-32-20)15-3-2-12-27(13-15)33(28,29)18-10-8-17(9-11-18)31-21(22,23)24/h4-11,15H,2-3,12-13H2,1H3/t15-/m1/s1
InChIKeyHZHATKLMVVMLOT-OAHLLOKOSA-N
MW483.47 g/mol
LogP4.21
Rot. Bonds6

About 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 92678496) has the molecular formula C21H20F3N3O5S and a molecular weight of 483.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID92678496
Molecular FormulaC21H20F3N3O5S
Molecular Weight483.47 g/mol
Exact Mass483.11
IUPAC Name5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)C3)no2)cc1
InChIInChI=1S/C21H20F3N3O5S/c1-30-16-6-4-14(5-7-16)20-25-19(26-32-20)15-3-2-12-27(13-15)33(28,29)18-10-8-17(9-11-18)31-21(22,23)24/h4-11,15H,2-3,12-13H2,1H3/t15-/m1/s1
InChIKeyHZHATKLMVVMLOT-OAHLLOKOSA-N
XLogP4.21
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 119102477
3-[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129417378
5-[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 1456170
3-(4-fluorophenyl)-5-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1453941
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 53130747
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 51613784
3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384865
4,6-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258159
5-[(3S)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 1454479
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 92896427

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (CID 92678496) is 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is COc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)C3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is HZHATKLMVVMLOT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20F3N3O5S/c1-30-16-6-4-14(5-7-16)20-25-19(26-32-20)15-3-2-12-27(13-15)33(28,29)18-10-8-17(9-11-18)31-21(22,23)24/h4-11,15H,2-3,12-13H2,1H3/t15-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 483.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 92678496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).