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

C19H18F3N3O4S — CID 1457470

IUPAC3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccccc4C(F)(F)F)C3)n2)o1
InChIInChI=1S/C19H18F3N3O4S/c1-12-8-9-15(28-12)17-23-18(29-24-17)13-5-4-10-25(11-13)30(26,27)16-7-3-2-6-14(16)19(20,21)22/h2-3,6-9,13H,4-5,10-11H2,1H3/t13-/m1/s1
InChIKeyGRKSAFAEUGYESW-CYBMUJFWSA-N
MW441.43 g/mol
LogP4.23
Rot. Bonds4

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

3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 1457470) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID1457470
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC Name3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccccc4C(F)(F)F)C3)n2)o1
InChIInChI=1S/C19H18F3N3O4S/c1-12-8-9-15(28-12)17-23-18(29-24-17)13-5-4-10-25(11-13)30(26,27)16-7-3-2-6-14(16)19(20,21)22/h2-3,6-9,13H,4-5,10-11H2,1H3/t13-/m1/s1
InChIKeyGRKSAFAEUGYESW-CYBMUJFWSA-N
XLogP4.23
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(4-methylphenyl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1456647
5-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 3226288
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 1457530
1-[3-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 1457484
N-cyclopropyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 3226284
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3226314
[(3R)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1457622
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1457612
3-(4-fluorophenyl)-5-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 3225886
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (CID 1457470) is 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccccc4C(F)(F)F)C3)n2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is GRKSAFAEUGYESW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c1-12-8-9-15(28-12)17-23-18(29-24-17)13-5-4-10-25(11-13)30(26,27)16-7-3-2-6-14(16)19(20,21)22/h2-3,6-9,13H,4-5,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 441.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 1457470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).