(5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C8H12F3NO3 — CID 706093

IUPAC(5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)(CO)C1=NO[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c1-6(2,4-13)5-3-7(14,15-12-5)8(9,10)11/h13-14H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyPNSWEEJKYNGZNN-SSDOTTSWSA-N
MW227.18 g/mol
LogP1.03
Rot. Bonds2

About (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

(5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 706093) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name(5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID706093
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name(5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)(CO)C1=NO[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c1-6(2,4-13)5-3-7(14,15-12-5)8(9,10)11/h13-14H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyPNSWEEJKYNGZNN-SSDOTTSWSA-N
XLogP1.03
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-Butyl-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 534772
3-(1-Hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol
CID 3844794
(5S)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 706096
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 706093) is (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is CC(C)(CO)C1=NO[C@@](O)(C(F)(F)F)C1.
What is the InChIKey of (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is PNSWEEJKYNGZNN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-6(2,4-13)5-3-7(14,15-12-5)8(9,10)11/h13-14H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
(5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 227.18 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 706093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).