5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol

C11H8F5NO2 — CID 91253890

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)C(F)(F)F)C=C(c2ccccc2)NO1
InChIInChI=1S/C11H8F5NO2/c12-10(13,11(14,15)16)9(18)6-8(17-19-9)7-4-2-1-3-5-7/h1-6,17-18H
InChIKeyWDZHVEFVWYLEEA-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.45
Rot. Bonds2

About 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol

5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol (PubChem CID 91253890) has the molecular formula C11H8F5NO2 and a molecular weight of 281.18 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol
PubChem CID91253890
Molecular FormulaC11H8F5NO2
Molecular Weight281.18 g/mol
Exact Mass281.05
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)C(F)(F)F)C=C(c2ccccc2)NO1
InChIInChI=1S/C11H8F5NO2/c12-10(13,11(14,15)16)9(18)6-8(17-19-9)7-4-2-1-3-5-7/h1-6,17-18H
InChIKeyWDZHVEFVWYLEEA-UHFFFAOYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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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-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079472
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
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
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629
3-[3-(azidomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 91056095
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol (CID 91253890) is 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol is OC1(C(F)(F)C(F)(F)F)C=C(c2ccccc2)NO1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol?
The InChIKey is WDZHVEFVWYLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5NO2/c12-10(13,11(14,15)16)9(18)6-8(17-19-9)7-4-2-1-3-5-7/h1-6,17-18H.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol?
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol has a molecular weight of 281.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 91253890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).