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

C21H17Cl2F3N2O2 — CID 29416058

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17Cl2F3N2O2/c22-15-5-6-16(17(23)11-15)18-12-28-20(30-18)8-7-19(29)27-10-9-13-1-3-14(4-2-13)21(24,25)26/h1-6,11-12H,7-10H2,(H,27,29)
InChIKeyGPIFSPBUNOOFIN-UHFFFAOYSA-N
MW457.28 g/mol
LogP5.96
Rot. Bonds7

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

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 29416058) has the molecular formula C21H17Cl2F3N2O2 and a molecular weight of 457.28 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID29416058
Molecular FormulaC21H17Cl2F3N2O2
Molecular Weight457.28 g/mol
Exact Mass456.06
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17Cl2F3N2O2/c22-15-5-6-16(17(23)11-15)18-12-28-20(30-18)8-7-19(29)27-10-9-13-1-3-14(4-2-13)21(24,25)26/h1-6,11-12H,7-10H2,(H,27,29)
InChIKeyGPIFSPBUNOOFIN-UHFFFAOYSA-N
XLogP5.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.28
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102896
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide
CID 29473371
N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 33329663
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590219
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-oxoazepan-1-yl)ethyl]propanamide
CID 39514221
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 29416058) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is GPIFSPBUNOOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F3N2O2/c22-15-5-6-16(17(23)11-15)18-12-28-20(30-18)8-7-19(29)27-10-9-13-1-3-14(4-2-13)21(24,25)26/h1-6,11-12H,7-10H2,(H,27,29).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 457.28 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 29416058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).