[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C10H12F3N3O4 — CID 16570740

IUPAC[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N3O4/c1-4-6(7(14)20-16-4)9(18)19-5(2)8(17)15-3-10(11,12)13/h5H,3,14H2,1-2H3,(H,15,17)
InChIKeyOZFCSCALGBDCSR-UHFFFAOYSA-N
MW295.22 g/mol
LogP0.79
Rot. Bonds4

About [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 16570740) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID16570740
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H12F3N3O4/c1-4-6(7(14)20-16-4)9(18)19-5(2)8(17)15-3-10(11,12)13/h5H,3,14H2,1-2H3,(H,15,17)
InChIKeyOZFCSCALGBDCSR-UHFFFAOYSA-N
XLogP0.79
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 40066185
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681430
[2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 17475426
[2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26004522
[2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26004524
[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26201744
[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 26201745
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639801
Ethyl 3-methyl-5-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazole-4-carboxylate
CID 108450975
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4692442
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 17480637

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 16570740) is [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is OZFCSCALGBDCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c1-4-6(7(14)20-16-4)9(18)19-5(2)8(17)15-3-10(11,12)13/h5H,3,14H2,1-2H3,(H,15,17).
What are the key properties of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 295.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 16570740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).