N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C21H19F3N2O3 — CID 19589167

IUPACN-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H19F3N2O3/c1-3-14-7-4-5-10-18(14)25-20(27)19-17(13(2)29-26-19)12-28-16-9-6-8-15(11-16)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,27)
InChIKeyDMJCAFHBDDXKLC-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.40
Rot. Bonds6

About N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19589167) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID19589167
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H19F3N2O3/c1-3-14-7-4-5-10-18(14)25-20(27)19-17(13(2)29-26-19)12-28-16-9-6-8-15(11-16)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,27)
InChIKeyDMJCAFHBDDXKLC-UHFFFAOYSA-N
XLogP5.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 17026191
N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492323
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
4-[(4-ethylphenoxy)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19444496
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
4-[(2-chlorophenoxy)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443297
4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490391
N-(3-chloro-2-methylphenyl)-4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443894
4-[(3-chlorophenoxy)methyl]-N-(2,3-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443980
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442790
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
[2-(2-ethylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186437

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 19589167) is N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CCc1ccccc1NC(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DMJCAFHBDDXKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-3-14-7-4-5-10-18(14)25-20(27)19-17(13(2)29-26-19)12-28-16-9-6-8-15(11-16)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19589167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).