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

C19H14F3NO2 — CID 24800332

IUPAC3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(F)(F)F)o1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)17-12-23-18(25-17)16(24)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2
InChIKeyBXXGIXJALZAJTA-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.18
Rot. Bonds5

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

3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 24800332) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID24800332
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(F)(F)F)o1
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)17-12-23-18(25-17)16(24)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2
InChIKeyBXXGIXJALZAJTA-UHFFFAOYSA-N
XLogP5.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one (CID 24800332) is 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(F)(F)F)o1.
What is the InChIKey of 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is BXXGIXJALZAJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)17-12-23-18(25-17)16(24)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-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one?
3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 345.32 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 24800332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).