1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone

C15H14F3N3O3 — CID 167893080

IUPAC1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H14F3N3O3/c1-9(22)21-5-6-23-8-12(21)14-19-13(20-24-14)10-3-2-4-11(7-10)15(16,17)18/h2-4,7,12H,5-6,8H2,1H3
InChIKeyDIXWEBSHZDLKKI-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.68
Rot. Bonds2

About 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone

1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone (PubChem CID 167893080) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
PubChem CID167893080
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H14F3N3O3/c1-9(22)21-5-6-23-8-12(21)14-19-13(20-24-14)10-3-2-4-11(7-10)15(16,17)18/h2-4,7,12H,5-6,8H2,1H3
InChIKeyDIXWEBSHZDLKKI-UHFFFAOYSA-N
XLogP2.68
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594
(2R)-N-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057742
cyclohexyl-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057467
(3,5-dimethoxyphenyl)-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95057454
2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 71784129
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 119037918
(E)-3-thiophen-2-yl-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 95057486
(3-chlorophenyl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095643
(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 71784092
1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71784114
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4212102
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
CID 110242925

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone (CID 167893080) is 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone is CC(=O)N1CCOCC1c1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
The InChIKey is DIXWEBSHZDLKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-9(22)21-5-6-23-8-12(21)14-19-13(20-24-14)10-3-2-4-11(7-10)15(16,17)18/h2-4,7,12H,5-6,8H2,1H3.
What are the key properties of 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone has a molecular weight of 341.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 167893080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).