[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate

C15H13F3N2O4 — CID 41323383

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F3N2O4/c1-8-6-12(20-24-8)19-13(21)9(2)23-14(22)10-4-3-5-11(7-10)15(16,17)18/h3-7,9H,1-2H3,(H,19,20,21)/t9-/m0/s1
InChIKeyNPCNCNFRQVFDGQ-VIFPVBQESA-N
MW342.27 g/mol
LogP3.19
Rot. Bonds4

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate (PubChem CID 41323383) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
PubChem CID41323383
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H13F3N2O4/c1-8-6-12(20-24-8)19-13(21)9(2)23-14(22)10-4-3-5-11(7-10)15(16,17)18/h3-7,9H,1-2H3,(H,19,20,21)/t9-/m0/s1
InChIKeyNPCNCNFRQVFDGQ-VIFPVBQESA-N
XLogP3.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate with MolForge

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 46619922
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 26012031
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-nitrobenzoate
CID 17483961
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(trifluoromethyl)benzoate
CID 7860111
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(trifluoromethyl)benzoate
CID 2557084
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959161
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838868
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 26012027
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483020
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(propylsulfamoyl)benzoate
CID 18226146

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate (CID 41323383) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate is Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate?
The InChIKey is NPCNCNFRQVFDGQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13F3N2O4/c1-8-6-12(20-24-8)19-13(21)9(2)23-14(22)10-4-3-5-11(7-10)15(16,17)18/h3-7,9H,1-2H3,(H,19,20,21)/t9-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate has a molecular weight of 342.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 41323383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).