[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C15H13F3N2O4 — CID 2606089

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1cc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F3N2O4/c1-9-5-12(20-24-9)19-13(21)8-23-14(22)7-10-3-2-4-11(6-10)15(16,17)18/h2-6H,7-8H2,1H3,(H,19,20,21)
InChIKeyPPWNKWJBUASEHV-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.73
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2606089) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2606089
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1cc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F3N2O4/c1-9-5-12(20-24-9)19-13(21)8-23-14(22)7-10-3-2-4-11(6-10)15(16,17)18/h2-6H,7-8H2,1H3,(H,19,20,21)
InChIKeyPPWNKWJBUASEHV-UHFFFAOYSA-N
XLogP2.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 16596009
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013675
ethyl 4-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]benzoate
CID 7767527
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625138
[2-(4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767521
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767549
ethyl 4,5-dimethyl-2-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 2430006
[2-(3-cyanoanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2338285
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 17393371
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2606089) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is Cc1cc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is PPWNKWJBUASEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c1-9-5-12(20-24-9)19-13(21)8-23-14(22)7-10-3-2-4-11(6-10)15(16,17)18/h2-6H,7-8H2,1H3,(H,19,20,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 342.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2606089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).