N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide

C19H19F3N4O3 — CID 26410425

IUPACN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H19F3N4O3/c1-3-26(10-13-8-23-25(2)9-13)18(27)16-11-29-17(24-16)12-28-15-6-4-5-14(7-15)19(20,21)22/h4-9,11H,3,10,12H2,1-2H3
InChIKeyGXJXWGXYBTZMDW-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.67
Rot. Bonds7

About N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide

N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 26410425) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
PubChem CID26410425
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H19F3N4O3/c1-3-26(10-13-8-23-25(2)9-13)18(27)16-11-29-17(24-16)12-28-15-6-4-5-14(7-15)19(20,21)22/h4-9,11H,3,10,12H2,1-2H3
InChIKeyGXJXWGXYBTZMDW-UHFFFAOYSA-N
XLogP3.67
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate
CID 42393681
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 56707993
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278361
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42595611
N-prop-2-enyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42245332
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45224537
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 26390943
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 56722009
N-[(3-methyl-4-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42198397
(3-methoxypiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45200891
N-[[(2S)-oxan-2-yl]methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42154892

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (CID 26410425) is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is CCN(Cc1cnn(C)c1)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GXJXWGXYBTZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-3-26(10-13-8-23-25(2)9-13)18(27)16-11-29-17(24-16)12-28-15-6-4-5-14(7-15)19(20,21)22/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 26410425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).