5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole

C15H15F4N3O3S — CID 133283907

IUPAC5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C15H15F4N3O3S/c1-9-20-14(25-21-9)10-4-6-22(7-5-10)12-3-2-11(16)8-13(12)26(23,24)15(17,18)19/h2-3,8,10H,4-7H2,1H3
InChIKeyIEYVTTHMZGEOTR-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.19
Rot. Bonds3

About 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole

5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 133283907) has the molecular formula C15H15F4N3O3S and a molecular weight of 393.36 g/mol. Its IUPAC name is 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID133283907
Molecular FormulaC15H15F4N3O3S
Molecular Weight393.36 g/mol
Exact Mass393.08
IUPAC Name5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C15H15F4N3O3S/c1-9-20-14(25-21-9)10-4-6-22(7-5-10)12-3-2-11(16)8-13(12)26(23,24)15(17,18)19/h2-3,8,10H,4-7H2,1H3
InChIKeyIEYVTTHMZGEOTR-UHFFFAOYSA-N
XLogP3.19
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 133284808
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine
CID 133284456
3-fluoro-N-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide
CID 136546058
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
CID 158231096
[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
CID 95697257
3-methyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 56816452
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine
CID 133283522
4-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]pyrimidin-2-amine
CID 102563444
[1-(3-fluorophenyl)pyrazol-3-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47894993
methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
CID 95280296
3-(2,5-difluorophenyl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 129346179

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 133283907) is 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)CC2)n1.
What is the InChIKey of 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is IEYVTTHMZGEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O3S/c1-9-20-14(25-21-9)10-4-6-22(7-5-10)12-3-2-11(16)8-13(12)26(23,24)15(17,18)19/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 393.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133283907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).