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

C10H8F3NO2 — CID 2880976

IUPAC3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=NO1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyMOIAAOCWJASFIO-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.06
Rot. Bonds1

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

3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 2880976) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID2880976
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=NO1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyMOIAAOCWJASFIO-UHFFFAOYSA-N
XLogP2.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 2880976) is 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccccc2)=NO1.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is MOIAAOCWJASFIO-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/h1-5,15H,6H2.
What are the key properties of 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 231.17 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2880976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).