2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one

C13H12F3NO3 — CID 14363748

IUPAC2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCC(C)OC1=NC(c2ccccc2)(C(F)(F)F)OC1=O
InChIInChI=1S/C13H12F3NO3/c1-8(2)19-10-11(18)20-12(17-10,13(14,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyGJXYQMUXQKNFFK-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.78
Rot. Bonds2

About 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one

2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one (PubChem CID 14363748) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one
PubChem CID14363748
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCC(C)OC1=NC(c2ccccc2)(C(F)(F)F)OC1=O
InChIInChI=1S/C13H12F3NO3/c1-8(2)19-10-11(18)20-12(17-10,13(14,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyGJXYQMUXQKNFFK-UHFFFAOYSA-N
XLogP2.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one?
The IUPAC name of 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one (CID 14363748) is 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one.
What is the SMILES notation for 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one?
The canonical SMILES for 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one is CC(C)OC1=NC(c2ccccc2)(C(F)(F)F)OC1=O.
What is the InChIKey of 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one?
The InChIKey is GJXYQMUXQKNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-8(2)19-10-11(18)20-12(17-10,13(14,15)16)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one?
2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one has a molecular weight of 287.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one is sourced from PubChem (CID 14363748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).