[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C10H11F3N2O4 — CID 2681430

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c1-5-8(6(2)19-15-5)9(17)18-3-7(16)14-4-10(11,12)13/h3-4H2,1-2H3,(H,14,16)
InChIKeyWMJVRCBODSFAIR-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.13
Rot. Bonds4

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2681430) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2681430
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c1-5-8(6(2)19-15-5)9(17)18-3-7(16)14-4-10(11,12)13/h3-4H2,1-2H3,(H,14,16)
InChIKeyWMJVRCBODSFAIR-UHFFFAOYSA-N
XLogP1.13
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2681430) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is WMJVRCBODSFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-5-8(6(2)19-15-5)9(17)18-3-7(16)14-4-10(11,12)13/h3-4H2,1-2H3,(H,14,16).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 280.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2681430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).