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

C10H8F3NO2 — CID 5056306

IUPAC3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)C=C(c2ccccc2)NO1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-6,14-15H
InChIKeyFNWDMVJGCPVROV-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.81
Rot. Bonds1

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

3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 5056306) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID5056306
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)C=C(c2ccccc2)NO1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-6,14-15H
InChIKeyFNWDMVJGCPVROV-UHFFFAOYSA-N
XLogP1.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.81
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-(4-chlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079472
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine
CID 57310683
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-(4-Fluorophenyl)-3-(methoxyamino)prop-2-enoic acid
CID 90937214
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629
3-[3-(azidomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 91056095

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 5056306) is 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is OC1(C(F)(F)F)C=C(c2ccccc2)NO1.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is FNWDMVJGCPVROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-6,14-15H.
What are the key properties of 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 231.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 5056306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).