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

C13H16F3N3O5 — CID 27951174

IUPAC[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C(C)C)c1C(=O)OCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C13H16F3N3O5/c1-6(2)10-9(7(3)19-24-10)11(21)23-4-8(20)18-12(22)17-5-13(14,15)16/h6H,4-5H2,1-3H3,(H2,17,18,20,22)
InChIKeyZYNLPORRLHPIRC-UHFFFAOYSA-N
MW351.28 g/mol
LogP1.65
Rot. Bonds5

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

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 27951174) has the molecular formula C13H16F3N3O5 and a molecular weight of 351.28 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
PubChem CID27951174
Molecular FormulaC13H16F3N3O5
Molecular Weight351.28 g/mol
Exact Mass351.10
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C(C)C)c1C(=O)OCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C13H16F3N3O5/c1-6(2)10-9(7(3)19-24-10)11(21)23-4-8(20)18-12(22)17-5-13(14,15)16/h6H,4-5H2,1-3H3,(H2,17,18,20,22)
InChIKeyZYNLPORRLHPIRC-UHFFFAOYSA-N
XLogP1.65
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (CID 27951174) is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is Cc1noc(C(C)C)c1C(=O)OCC(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is ZYNLPORRLHPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O5/c1-6(2)10-9(7(3)19-24-10)11(21)23-4-8(20)18-12(22)17-5-13(14,15)16/h6H,4-5H2,1-3H3,(H2,17,18,20,22).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 351.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 27951174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).