3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one

C20H20F3N5O3 — CID 92568307

IUPAC3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCO[C@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1
InChIInChI=1S/C20H20F3N5O3/c21-20(22,23)15-4-1-3-14(11-15)12-17-25-19(31-26-17)16-13-27(9-10-30-16)18(29)5-8-28-7-2-6-24-28/h1-4,6-7,11,16H,5,8-10,12-13H2/t16-/m0/s1
InChIKeyOGEALAYQZOKYRC-INIZCTEOSA-N
MW435.41 g/mol
LogP2.87
Rot. Bonds6

About 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one

3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one (PubChem CID 92568307) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
PubChem CID92568307
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCO[C@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1
InChIInChI=1S/C20H20F3N5O3/c21-20(22,23)15-4-1-3-14(11-15)12-17-25-19(31-26-17)16-13-27(9-10-30-16)18(29)5-8-28-7-2-6-24-28/h1-4,6-7,11,16H,5,8-10,12-13H2/t16-/m0/s1
InChIKeyOGEALAYQZOKYRC-INIZCTEOSA-N
XLogP2.87
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylpyrazol-4-yl)-[(2R)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590071
3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92562548
3-pyrazol-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92615571
3-pyrazol-1-yl-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92615570
1-[(2R)-2-isoquinolin-3-ylmorpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92576978
1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92578316
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590816
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 110242920
[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124985047
[(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124985046
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one (CID 92568307) is 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one is O=C(CCn1cccn1)N1CCO[C@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1.
What is the InChIKey of 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The InChIKey is OGEALAYQZOKYRC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c21-20(22,23)15-4-1-3-14(11-15)12-17-25-19(31-26-17)16-13-27(9-10-30-16)18(29)5-8-28-7-2-6-24-28/h1-4,6-7,11,16H,5,8-10,12-13H2/t16-/m0/s1.
What are the key properties of 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one has a molecular weight of 435.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 92568307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).