3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C20H16ClF3N2O2 — CID 24612508

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16ClF3N2O2/c21-16-4-2-1-3-15(16)17-12-26-19(28-17)10-9-18(27)25-11-13-5-7-14(8-6-13)20(22,23)24/h1-8,12H,9-11H2,(H,25,27)
InChIKeyPRMYVZCNNPQXOH-UHFFFAOYSA-N
MW408.81 g/mol
LogP5.26
Rot. Bonds6

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 24612508) has the molecular formula C20H16ClF3N2O2 and a molecular weight of 408.81 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID24612508
Molecular FormulaC20H16ClF3N2O2
Molecular Weight408.81 g/mol
Exact Mass408.09
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16ClF3N2O2/c21-16-4-2-1-3-15(16)17-12-26-19(28-17)10-9-18(27)25-11-13-5-7-14(8-6-13)20(22,23)24/h1-8,12H,9-11H2,(H,25,27)
InChIKeyPRMYVZCNNPQXOH-UHFFFAOYSA-N
XLogP5.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18161298
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 29416058
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134036431
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 24676617
N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119640145
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 16596708
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 24612508) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is PRMYVZCNNPQXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2/c21-16-4-2-1-3-15(16)17-12-26-19(28-17)10-9-18(27)25-11-13-5-7-14(8-6-13)20(22,23)24/h1-8,12H,9-11H2,(H,25,27).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 408.81 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 24612508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).