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

C10H8F3NO — CID 22184724

IUPAC5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2CC=NO2)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-15-9/h1-4,6,9H,5H2
InChIKeyCODUMMABNLUGLJ-UHFFFAOYSA-N
MW215.17 g/mol
LogP3.15
Rot. Bonds1

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

5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 22184724) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID22184724
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2CC=NO2)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-15-9/h1-4,6,9H,5H2
InChIKeyCODUMMABNLUGLJ-UHFFFAOYSA-N
XLogP3.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-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 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 22184724) is 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is FC(F)(F)c1ccc(C2CC=NO2)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is CODUMMABNLUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-15-9/h1-4,6,9H,5H2.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 215.17 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 22184724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).