(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

C12H10F3NO2 — CID 7007216

IUPAC(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESO[C@]1(C(F)(F)F)C=C(C=Cc2ccccc2)NO1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)11(17)8-10(16-18-11)7-6-9-4-2-1-3-5-9/h1-8,16-17H/t11-/m1/s1
InChIKeyVFFYZTFVQPVNBA-LLVKDONJSA-N
MW257.21 g/mol
LogP2.37
Rot. Bonds2

About (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 7007216) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID7007216
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESO[C@]1(C(F)(F)F)C=C(C=Cc2ccccc2)NO1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)11(17)8-10(16-18-11)7-6-9-4-2-1-3-5-9/h1-8,16-17H/t11-/m1/s1
InChIKeyVFFYZTFVQPVNBA-LLVKDONJSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-(Aminomethyl)phenyl)-5-(trifluoromethyl)-2,5-dihydro-1,2-oxazol-5-ol
CID 90880431
3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079470
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90717057
3-(3-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90726686
3-[4-(azidomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90901408
3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90926576
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol
CID 91253890
3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4145747
(5S)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 7007217
(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
CID 7007474

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 7007216) is (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is O[C@]1(C(F)(F)F)C=C(C=Cc2ccccc2)NO1.
What is the InChIKey of (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is VFFYZTFVQPVNBA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)11(17)8-10(16-18-11)7-6-9-4-2-1-3-5-9/h1-8,16-17H/t11-/m1/s1.
What are the key properties of (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 257.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 7007216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).