3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

C10H7F4NO2 — CID 4079470

IUPAC3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-5,15-16H
InChIKeyWDVXDZMALCEIMX-UHFFFAOYSA-N
MW249.16 g/mol
LogP1.95
Rot. Bonds1

About 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 4079470) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID4079470
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-5,15-16H
InChIKeyWDVXDZMALCEIMX-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 51.95
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-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079472
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
3-(4-Fluorophenyl)-1,2-oxazol-5-ol
CID 75359316
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
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 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 4079470) is 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is OC1(C(F)(F)F)C=C(c2ccc(F)cc2)NO1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is WDVXDZMALCEIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-5,15-16H.
What are the key properties of 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 249.16 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 4079470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).