ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate

C20H15F3N2O4 — CID 44819187

IUPACethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)on1
InChIInChI=1S/C20H15F3N2O4/c1-2-28-19(27)16-11-17(29-25-16)12-5-4-8-15(10-12)24-18(26)13-6-3-7-14(9-13)20(21,22)23/h3-11H,2H2,1H3,(H,24,26)
InChIKeyRGFQIYVLUSEHJF-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.79
Rot. Bonds5

About ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44819187) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate
PubChem CID44819187
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC Nameethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)on1
InChIInChI=1S/C20H15F3N2O4/c1-2-28-19(27)16-11-17(29-25-16)12-5-4-8-15(10-12)24-18(26)13-6-3-7-14(9-13)20(21,22)23/h3-11H,2H2,1H3,(H,24,26)
InChIKeyRGFQIYVLUSEHJF-UHFFFAOYSA-N
XLogP4.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1093730
CID 1093730
CID 1481096
CID 1481096
CID 3494857
CID 3494857
CID 4355579
CID 4355579
CID 973882
CID 973882
CID 850474
CID 850474
CID 2774357
CID 2774357
CID 3240197
CID 3240197
CID 16008627
CID 16008627
CID 16027258
CID 16027258
CID 44819186
CID 44819186
CID 46902895
CID 46902895

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate (CID 44819187) is ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)on1.
What is the InChIKey of ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is RGFQIYVLUSEHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c1-2-28-19(27)16-11-17(29-25-16)12-5-4-8-15(10-12)24-18(26)13-6-3-7-14(9-13)20(21,22)23/h3-11H,2H2,1H3,(H,24,26).
What are the key properties of ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 404.34 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44819187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).