3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H19F3N2O2 — CID 118756322

IUPAC3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-9-5-4-8-15(17)13-24-19(26)18-12-16(25-27-18)11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,24,26)
InChIKeyOSGBZSDZARLCOB-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.10
Rot. Bonds6

About 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 118756322) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID118756322
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-9-5-4-8-15(17)13-24-19(26)18-12-16(25-27-18)11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,24,26)
InChIKeyOSGBZSDZARLCOB-UHFFFAOYSA-N
XLogP4.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 118756322) is 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CC(CCc2ccccc2)=NO1.
What is the InChIKey of 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OSGBZSDZARLCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)17-9-5-4-8-15(17)13-24-19(26)18-12-16(25-27-18)11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,24,26).
What are the key properties of 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118756322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).