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

C5H6F3NO2 — CID 4218975

IUPAC3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC1=NOC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO2/c1-3-2-4(10,11-9-3)5(6,7)8/h10H,2H2,1H3
InChIKeyKKEUGGZODLCCTR-UHFFFAOYSA-N
MW169.10 g/mol
LogP1.03
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 4218975) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID4218975
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC1=NOC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO2/c1-3-2-4(10,11-9-3)5(6,7)8/h10H,2H2,1H3
InChIKeyKKEUGGZODLCCTR-UHFFFAOYSA-N
XLogP1.03
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxy-3-methyl-5(trifluoromethyl)-1,2-oxazol-4(5h)-one oxime
CID 138756299
3,5-Dimethyl-4,5-dihydro-1,2-oxazol-5-ol
CID 13429843
3-Ethyl-5-(trifluoromethyl)-2-isoxazolin-5-ol
CID 10058180
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 10107682
(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
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-(bromomethyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 101210106
3,5-bis(difluoromethyl)-4H-1,2-oxazol-5-ol
CID 132548551
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 134108573
3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 177569156

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 4218975) is 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is CC1=NOC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is KKEUGGZODLCCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c1-3-2-4(10,11-9-3)5(6,7)8/h10H,2H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 169.10 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 4218975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).