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

C10H12F3N3O4 — CID 26201745

IUPAC[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@@H](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)/t5-/m0/s1
InChIKeyOZFCSCALGBDCSR-YFKPBYRVSA-N
MW295.22 g/mol
LogP0.79
Rot. Bonds4

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

[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 26201745) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID26201745
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)O[C@@H](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)/t5-/m0/s1
InChIKeyOZFCSCALGBDCSR-YFKPBYRVSA-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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 26201745) is [(2S)-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 [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NCC(F)(F)F.
What is the InChIKey of [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is OZFCSCALGBDCSR-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[(2S)-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 [(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 26201745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).