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

C22H20F3N3O3 — CID 68686960

IUPAC2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCCC1c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)16-11-9-15(10-12-16)20-26-21(31-27-20)18-8-4-5-13-28(18)19(29)14-30-17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2
InChIKeyLKORKAWSIPAWHM-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.89
Rot. Bonds5

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

2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 68686960) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID68686960
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCCC1c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)16-11-9-15(10-12-16)20-26-21(31-27-20)18-8-4-5-13-28(18)19(29)14-30-17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2
InChIKeyLKORKAWSIPAWHM-UHFFFAOYSA-N
XLogP4.89
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
1-[2-[3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689193
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686400
N-[2-fluoro-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686403
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;2-phenoxy-1-[(2R)-2-[3-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 159896400
carbamoyl 4-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylate
CID 90731168
N-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68691121
1-[2-[3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690074
N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68685654
2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686836

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 68686960) is 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCCC1c1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is LKORKAWSIPAWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c23-22(24,25)16-11-9-15(10-12-16)20-26-21(31-27-20)18-8-4-5-13-28(18)19(29)14-30-17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2.
What are the key properties of 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 431.41 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 68686960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).