[5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol

C6H8F3NO2 — CID 90303125

IUPAC[5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol
SMILESCC1(C(F)(F)F)CC(CO)=NO1
InChIInChI=1S/C6H8F3NO2/c1-5(6(7,8)9)2-4(3-11)10-12-5/h11H,2-3H2,1H3
InChIKeyWCIFOBYKYKAIRF-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.08
Rot. Bonds1

About [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol

[5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol (PubChem CID 90303125) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol
PubChem CID90303125
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name[5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol
SMILESCC1(C(F)(F)F)CC(CO)=NO1
InChIInChI=1S/C6H8F3NO2/c1-5(6(7,8)9)2-4(3-11)10-12-5/h11H,2-3H2,1H3
InChIKeyWCIFOBYKYKAIRF-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-5,5-dimethyl-3-isoxazolemethanol
CID 102278697
2,2,2-Trifluoro-1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)ethanol
CID 132175130
5,5,5-Trifluoro-2-imino-4-methylpentane-1,4-diol
CID 144673027
(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol
CID 10921209
2-(4,5-Dihydro-1,2-oxazol-3-yl)propan-2-ol
CID 118528273

Frequently Asked Questions

What is the IUPAC name of [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol (CID 90303125) is [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol is CC1(C(F)(F)F)CC(CO)=NO1.
What is the InChIKey of [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol?
The InChIKey is WCIFOBYKYKAIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-5(6(7,8)9)2-4(3-11)10-12-5/h11H,2-3H2,1H3.
What are the key properties of [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol?
[5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol has a molecular weight of 183.13 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 90303125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).