3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H13Cl2F3N2O2 — CID 11958543

IUPAC3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C18H13Cl2F3N2O2/c19-12-2-1-3-13(20)16(12)14-8-15(27-25-14)17(26)24-9-10-4-6-11(7-5-10)18(21,22)23/h1-7,15H,8-9H2,(H,24,26)
InChIKeyYMFZIYLIRUNWMX-UHFFFAOYSA-N
MW417.21 g/mol
LogP4.82
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 11958543) has the molecular formula C18H13Cl2F3N2O2 and a molecular weight of 417.21 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID11958543
Molecular FormulaC18H13Cl2F3N2O2
Molecular Weight417.21 g/mol
Exact Mass416.03
IUPAC Name3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C18H13Cl2F3N2O2/c19-12-2-1-3-13(20)16(12)14-8-15(27-25-14)17(26)24-9-10-4-6-11(7-5-10)18(21,22)23/h1-7,15H,8-9H2,(H,24,26)
InChIKeyYMFZIYLIRUNWMX-UHFFFAOYSA-N
XLogP4.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 11958543) is 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)C1CC(c2c(Cl)cccc2Cl)=NO1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YMFZIYLIRUNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O2/c19-12-2-1-3-13(20)16(12)14-8-15(27-25-14)17(26)24-9-10-4-6-11(7-5-10)18(21,22)23/h1-7,15H,8-9H2,(H,24,26).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 417.21 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11958543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).