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

C18H11Cl2F3N2O2 — CID 16591104

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11Cl2F3N2O2/c19-9-1-2-10(11(20)7-9)14-8-24-16(27-14)6-5-15(26)25-13-4-3-12(21)17(22)18(13)23/h1-4,7-8H,5-6H2,(H,25,26)
InChIKeyQQKFPPYRPQGSAL-UHFFFAOYSA-N
MW415.20 g/mol
LogP5.64
Rot. Bonds5

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

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 16591104) has the molecular formula C18H11Cl2F3N2O2 and a molecular weight of 415.20 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID16591104
Molecular FormulaC18H11Cl2F3N2O2
Molecular Weight415.20 g/mol
Exact Mass414.01
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11Cl2F3N2O2/c19-9-1-2-10(11(20)7-9)14-8-24-16(27-14)6-5-15(26)25-13-4-3-12(21)17(22)18(13)23/h1-4,7-8H,5-6H2,(H,25,26)
InChIKeyQQKFPPYRPQGSAL-UHFFFAOYSA-N
XLogP5.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.20
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16596029
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-pyridin-2-ylpropanamide
CID 51312308
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 108798031
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
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-(triazol-1-yl)phenyl]propanamide
CID 112835322
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 16593632
N-[2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 33329663

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (CID 16591104) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is QQKFPPYRPQGSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2O2/c19-9-1-2-10(11(20)7-9)14-8-24-16(27-14)6-5-15(26)25-13-4-3-12(21)17(22)18(13)23/h1-4,7-8H,5-6H2,(H,25,26).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 415.20 g/mol, XLogP of 5.64, 5 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-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 16591104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).