2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol

C12H12F3NO2 — CID 71003670

IUPAC2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol
SMILESOCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-3-1-8(2-4-9)10-7-18-11(16-10)5-6-17/h1-4,10,17H,5-7H2
InChIKeyLJHFCNCGXCKWBP-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol

2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol (PubChem CID 71003670) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol
PubChem CID71003670
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol
SMILESOCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-3-1-8(2-4-9)10-7-18-11(16-10)5-6-17/h1-4,10,17H,5-7H2
InChIKeyLJHFCNCGXCKWBP-UHFFFAOYSA-N
XLogP2.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
CID 24795138
(4S)-4-phenyl-2-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]nonyl]-4,5-dihydro-1,3-oxazole
CID 122221308
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498
4-(4-Tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 15334503
trifluoromethyl N-[(1S)-2-hydroxy-1-phenylethyl]methanimidate
CID 57689275
2-[4-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate
CID 71003667
3-[4-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
CID 71193891
CID 89181034
CID 89181034

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol (CID 71003670) is 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol is OCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
The InChIKey is LJHFCNCGXCKWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)9-3-1-8(2-4-9)10-7-18-11(16-10)5-6-17/h1-4,10,17H,5-7H2.
What are the key properties of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol?
2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol has a molecular weight of 259.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol is sourced from PubChem (CID 71003670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).