3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one

C20H16F3NO3 — CID 24800867

IUPAC3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(C(F)(F)F)o1
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)18-12-24-19(27-18)17(25)11-10-14-6-8-15(9-7-14)13-26-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2
InChIKeyJWRIESPUDCBNRV-UHFFFAOYSA-N
MW375.35 g/mol
LogP5.09
Rot. Bonds7

About 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one

3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 24800867) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID24800867
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(C(F)(F)F)o1
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)18-12-24-19(27-18)17(25)11-10-14-6-8-15(9-7-14)13-26-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2
InChIKeyJWRIESPUDCBNRV-UHFFFAOYSA-N
XLogP5.09
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one (CID 24800867) is 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one is O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(C(F)(F)F)o1.
What is the InChIKey of 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is JWRIESPUDCBNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c21-20(22,23)18-12-24-19(27-18)17(25)11-10-14-6-8-15(9-7-14)13-26-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2.
What are the key properties of 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 375.35 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(phenoxymethyl)phenyl]-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 24800867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).