3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one

C26H21F3N4O2 — CID 67360329

IUPAC3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
SMILESO=C1N(Cc2nc(-c3ccc(C(F)(F)F)nc3)no2)CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)21-13-12-18(16-30-21)23-31-22(35-32-23)17-33-15-7-14-25(24(33)34,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-13,16H,7,14-15,17H2
InChIKeyGXFSXLUQMCAFHL-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.26
Rot. Bonds5

About 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one

3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one (PubChem CID 67360329) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
PubChem CID67360329
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC Name3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
SMILESO=C1N(Cc2nc(-c3ccc(C(F)(F)F)nc3)no2)CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)21-13-12-18(16-30-21)23-31-22(35-32-23)17-33-15-7-14-25(24(33)34,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-13,16H,7,14-15,17H2
InChIKeyGXFSXLUQMCAFHL-UHFFFAOYSA-N
XLogP5.26
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-diphenyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
CID 67446410
1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 86640840
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 67376354
9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163319449
1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
CID 129188276
1-phenyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
CID 167997703
5-(azepan-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 6485769
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 8012203
1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 71823752
1-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 67359678
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9209344
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The IUPAC name of 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one (CID 67360329) is 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one.
What is the SMILES notation for 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The canonical SMILES for 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one is O=C1N(Cc2nc(-c3ccc(C(F)(F)F)nc3)no2)CCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The InChIKey is GXFSXLUQMCAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-26(28,29)21-13-12-18(16-30-21)23-31-22(35-32-23)17-33-15-7-14-25(24(33)34,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-13,16H,7,14-15,17H2.
What are the key properties of 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one has a molecular weight of 478.47 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one is sourced from PubChem (CID 67360329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).