3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C6H8F3NO2 — CID 10058180

IUPAC3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCCC1=NOC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c1-2-4-3-5(11,12-10-4)6(7,8)9/h11H,2-3H2,1H3
InChIKeyJPRJFBTVRBAEDF-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.42
Rot. Bonds1

About 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 10058180) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID10058180
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCCC1=NOC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c1-2-4-3-5(11,12-10-4)6(7,8)9/h11H,2-3H2,1H3
InChIKeyJPRJFBTVRBAEDF-UHFFFAOYSA-N
XLogP1.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole
CID 4218975
3-tert-Butyl-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 534772
5-Hydroxy-3-methyl-5(trifluoromethyl)-1,2-oxazol-4(5h)-one oxime
CID 138756299
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol
CID 10402161
(5R)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1402754
(5S)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1402755
(5S)-3-tert-butyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 7111781
(5R)-3-tert-butyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 7111782
3-tert-butyl-5-(difluoromethyl)-4H-1,2-oxazol-5-ol
CID 15352259
3-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4H-1,2-oxazol-5-ol
CID 15352260
5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 43829391
3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol
CID 132548551

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 10058180) is 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is CCC1=NOC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is JPRJFBTVRBAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-2-4-3-5(11,12-10-4)6(7,8)9/h11H,2-3H2,1H3.
What are the key properties of 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 183.13 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 10058180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).