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

C5H5F3N2O3 — CID 138756299

IUPAC4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol
SMILESCC1=NOC(O)(C(F)(F)F)C1=NO
InChIInChI=1S/C5H5F3N2O3/c1-2-3(9-12)4(11,13-10-2)5(6,7)8/h11-12H,1H3
InChIKeySSPJJGXSQZRZIY-UHFFFAOYSA-N
MW198.10 g/mol
LogP0.47
Rot. Bonds

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

4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol (PubChem CID 138756299) has the molecular formula C5H5F3N2O3 and a molecular weight of 198.10 g/mol. Its IUPAC name is 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol
PubChem CID138756299
Molecular FormulaC5H5F3N2O3
Molecular Weight198.10 g/mol
Exact Mass198.03
IUPAC Name4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol
SMILESCC1=NOC(O)(C(F)(F)F)C1=NO
InChIInChI=1S/C5H5F3N2O3/c1-2-3(9-12)4(11,13-10-2)5(6,7)8/h11-12H,1H3
InChIKeySSPJJGXSQZRZIY-UHFFFAOYSA-N
XLogP0.47
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)isoxazole
CID 4218975
5-Hydroxy-3,5-dimethyl-isoxazol-4-one oxime
CID 135493978
3-Ethyl-5-(trifluoromethyl)-2-isoxazolin-5-ol
CID 10058180
5-Hydroxy-3,5-dimethylisoxazol-4(5H)-one oxime
CID 137122576
(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
5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 43829391
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
4-Hydroxyimino-3,5-dimethyl-1,2-oxazol-5-ol
CID 135428305

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol?
The IUPAC name of 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol (CID 138756299) is 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol.
What is the SMILES notation for 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol?
The canonical SMILES for 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol is CC1=NOC(O)(C(F)(F)F)C1=NO.
What is the InChIKey of 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol?
The InChIKey is SSPJJGXSQZRZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O3/c1-2-3(9-12)4(11,13-10-2)5(6,7)8/h11-12H,1H3.
What are the key properties of 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol?
4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol has a molecular weight of 198.10 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-3-methyl-5-(trifluoromethyl)-1,2-oxazol-5-ol is sourced from PubChem (CID 138756299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).