N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide

C22H23F3N4O3 — CID 146577208

IUPACN-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-c1noc(C)n1)[C@@H](C)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H23F3N4O3/c1-5-29(14(3)12-31-19-9-7-16(11-26-19)22(23,24)25)21(30)18-10-13(2)6-8-17(18)20-27-15(4)32-28-20/h6-11,14H,5,12H2,1-4H3/t14-/m0/s1
InChIKeyUAPLCQLLUMBLHZ-AWEZNQCLSA-N
MW448.45 g/mol
LogP4.70
Rot. Bonds7

About N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide

N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide (PubChem CID 146577208) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
PubChem CID146577208
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC NameN-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-c1noc(C)n1)[C@@H](C)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H23F3N4O3/c1-5-29(14(3)12-31-19-9-7-16(11-26-19)22(23,24)25)21(30)18-10-13(2)6-8-17(18)20-27-15(4)32-28-20/h6-11,14H,5,12H2,1-4H3/t14-/m0/s1
InChIKeyUAPLCQLLUMBLHZ-AWEZNQCLSA-N
XLogP4.70
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577493
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
N-ethyl-5-methyl-2-[methyl-[(Z)-oct-3-en-5-yn-3-yl]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide
CID 145383346
N-ethyl-2-(1-methyl-2-oxo-4-pyridinyl)-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577124
2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146576851
N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137244
N-ethyl-3,4-difluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-3,5-difluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4,5-difluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-5-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-5-methoxy-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]benzamide;N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)-5-(trifluoromethyl)benzamide
CID 158914842
4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 146577187
N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-6-pyrimidin-2-ylbenzamide
CID 157499821
methyl N-[1-[2-[[(2S)-1-[[5-(1,1-difluoropropyl)-2-pyridinyl]oxy]propan-2-yl]-ethylcarbamoyl]phenyl]ethenyl]ethanimidate
CID 145383235
N-ethyl-2-fluoro-3-methyl-6-[methyl-[(Z)-pent-2-ynylideneamino]amino]-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 145383230
N-ethyl-6-methyl-2-(1-methyl-3H-pyrazol-1-ium-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-3-carboxamide
CID 161223448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The IUPAC name of N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide (CID 146577208) is N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide.
What is the SMILES notation for N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The canonical SMILES for N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide is CCN(C(=O)c1cc(C)ccc1-c1noc(C)n1)[C@@H](C)COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The InChIKey is UAPLCQLLUMBLHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-5-29(14(3)12-31-19-9-7-16(11-26-19)22(23,24)25)21(30)18-10-13(2)6-8-17(18)20-27-15(4)32-28-20/h6-11,14H,5,12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide has a molecular weight of 448.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide is sourced from PubChem (CID 146577208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).