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

C20H20F3N5O3 — CID 110242920

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCOC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1
InChIInChI=1S/C20H20F3N5O3/c1-12-8-13(2)28(25-12)11-17(29)27-6-7-30-16(10-27)19-24-18(26-31-19)14-4-3-5-15(9-14)20(21,22)23/h3-5,8-9,16H,6-7,10-11H2,1-2H3
InChIKeyJABWLMPMSOAKQV-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.17
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone (PubChem CID 110242920) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
PubChem CID110242920
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCOC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1
InChIInChI=1S/C20H20F3N5O3/c1-12-8-13(2)28(25-12)11-17(29)27-6-7-30-16(10-27)19-24-18(26-31-19)14-4-3-5-15(9-14)20(21,22)23/h3-5,8-9,16H,6-7,10-11H2,1-2H3
InChIKeyJABWLMPMSOAKQV-UHFFFAOYSA-N
XLogP3.17
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
CID 110242925
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 55847757
(4,5-dimethylthiophen-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92598338
(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590816
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92580782
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250000
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-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone (CID 110242920) is 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCOC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
The InChIKey is JABWLMPMSOAKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-12-8-13(2)28(25-12)11-17(29)27-6-7-30-16(10-27)19-24-18(26-31-19)14-4-3-5-15(9-14)20(21,22)23/h3-5,8-9,16H,6-7,10-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone has a molecular weight of 435.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 110242920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).