(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole

C18H13F6NO — CID 166442991

IUPAC(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
SMILESFC(F)(F)C[C@]1(c2cccc(C(F)(F)F)c2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H13F6NO/c19-17(20,21)11-16(13-7-4-8-14(9-13)18(22,23)24)10-15(25-26-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyIBJGDGAJSDPGRZ-INIZCTEOSA-N
MW373.30 g/mol
LogP5.68
Rot. Bonds3

About (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole

(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole (PubChem CID 166442991) has the molecular formula C18H13F6NO and a molecular weight of 373.30 g/mol. Its IUPAC name is (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
PubChem CID166442991
Molecular FormulaC18H13F6NO
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC Name(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
SMILESFC(F)(F)C[C@]1(c2cccc(C(F)(F)F)c2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H13F6NO/c19-17(20,21)11-16(13-7-4-8-14(9-13)18(22,23)24)10-15(25-26-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyIBJGDGAJSDPGRZ-INIZCTEOSA-N
XLogP5.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.30
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole 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 (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The IUPAC name of (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole (CID 166442991) is (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole.
What is the SMILES notation for (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The canonical SMILES for (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole is FC(F)(F)C[C@]1(c2cccc(C(F)(F)F)c2)CC(c2ccccc2)=NO1.
What is the InChIKey of (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
The InChIKey is IBJGDGAJSDPGRZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H13F6NO/c19-17(20,21)11-16(13-7-4-8-14(9-13)18(22,23)24)10-15(25-26-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1.
What are the key properties of (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole?
(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole has a molecular weight of 373.30 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole is sourced from PubChem (CID 166442991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).