4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

C16H12F3NO — CID 14853169

IUPAC4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-9-5-4-8-12(13)15-20-14(10-21-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyCCHYZFFPJRKAKW-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.22
Rot. Bonds2

About 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 14853169) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID14853169
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-9-5-4-8-12(13)15-20-14(10-21-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyCCHYZFFPJRKAKW-UHFFFAOYSA-N
XLogP4.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-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 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 14853169) is 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccccc1C1=NC(c2ccccc2)CO1.
What is the InChIKey of 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CCHYZFFPJRKAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-9-5-4-8-12(13)15-20-14(10-21-15)11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 291.27 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).