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

C12H12F3NO — CID 143728788

IUPAC2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCC1=NC(c2ccccc2C(F)(F)F)CO1
InChIInChI=1S/C12H12F3NO/c1-2-11-16-10(7-17-11)8-5-3-4-6-9(8)12(13,14)15/h3-6,10H,2,7H2,1H3
InChIKeyISTYGBVMPUWMTJ-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.59
Rot. Bonds2

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

2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 143728788) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID143728788
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCC1=NC(c2ccccc2C(F)(F)F)CO1
InChIInChI=1S/C12H12F3NO/c1-2-11-16-10(7-17-11)8-5-3-4-6-9(8)12(13,14)15/h3-6,10H,2,7H2,1H3
InChIKeyISTYGBVMPUWMTJ-UHFFFAOYSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4-[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

Related Compounds

RO-5263397
CID 56835991
AG-H-02521
CID 5325154
(4S)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24966822
(4S)-4-[5-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323624
(4S)-4-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323682
4-(4-Fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323706
4-[5-Fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323721
4-(3-Fluoro-2-methylphenyl)-4,5-dihydrooxazol-2-amine
CID 59323748
(4S)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323753
4-[2-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323802
4-[3-Fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323818
4-(5-Fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323827

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 143728788) is 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is CCC1=NC(c2ccccc2C(F)(F)F)CO1.
What is the InChIKey of 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ISTYGBVMPUWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-2-11-16-10(7-17-11)8-5-3-4-6-9(8)12(13,14)15/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 243.23 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 143728788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).