3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one

C20H14F3NO3 — CID 24801731

IUPAC3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(=O)C(F)(F)F)o1
InChIInChI=1S/C20H14F3NO3/c21-20(22,23)18(26)17-12-24-19(27-17)16(25)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2
InChIKeyFPVSXZPXMYVAQM-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.90
Rot. Bonds6

About 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one

3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 24801731) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID24801731
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC Name3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(=O)C(F)(F)F)o1
InChIInChI=1S/C20H14F3NO3/c21-20(22,23)18(26)17-12-24-19(27-17)16(25)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2
InChIKeyFPVSXZPXMYVAQM-UHFFFAOYSA-N
XLogP4.90
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one (CID 24801731) is 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(=O)C(F)(F)F)o1.
What is the InChIKey of 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is FPVSXZPXMYVAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3/c21-20(22,23)18(26)17-12-24-19(27-17)16(25)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2.
What are the key properties of 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one?
3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 373.33 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-[5-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 24801731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).