1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone

C21H14F3N3O2 — CID 158159036

IUPAC1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1)c1cocn1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)16-3-1-2-15(9-16)17-10-25-20(27-17)14-6-4-13(5-7-14)8-19(28)18-11-29-12-26-18/h1-7,9-12H,8H2,(H,25,27)
InChIKeyFWATVUSHMVOOHV-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.18
Rot. Bonds5

About 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone

1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone (PubChem CID 158159036) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone
PubChem CID158159036
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1)c1cocn1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)16-3-1-2-15(9-16)17-10-25-20(27-17)14-6-4-13(5-7-14)8-19(28)18-11-29-12-26-18/h1-7,9-12H,8H2,(H,25,27)
InChIKeyFWATVUSHMVOOHV-UHFFFAOYSA-N
XLogP5.18
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone
CID 158872893
2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 159370783
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 157315843
2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)
CID 22969457
N-[4-[2-(3-methoxyphenyl)-1H-imidazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 90149411
[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
CID 116877873
3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
CID 53322648
2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[4-[2-(3-methylphenyl)-1-prop-2-ynylimidazol-4-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 158721748
1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
CID 10182190
2-(1,3-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110686374
2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine
CID 25265505

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone (CID 158159036) is 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone is O=C(Cc1ccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1)c1cocn1.
What is the InChIKey of 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone?
The InChIKey is FWATVUSHMVOOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)16-3-1-2-15(9-16)17-10-25-20(27-17)14-6-4-13(5-7-14)8-19(28)18-11-29-12-26-18/h1-7,9-12H,8H2,(H,25,27).
What are the key properties of 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone?
1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone has a molecular weight of 397.36 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 158159036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).