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

C10H11F3N4O5 — CID 46639801

IUPAC[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N4O5/c1-4-6(7(14)22-17-4)8(19)21-2-5(18)16-9(20)15-3-10(11,12)13/h2-3,14H2,1H3,(H2,15,16,18,20)
InChIKeyCFSROLQKRKLYIM-UHFFFAOYSA-N
MW324.22 g/mol
LogP0.11
Rot. Bonds4

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

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 46639801) has the molecular formula C10H11F3N4O5 and a molecular weight of 324.22 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID46639801
Molecular FormulaC10H11F3N4O5
Molecular Weight324.22 g/mol
Exact Mass324.07
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11F3N4O5/c1-4-6(7(14)22-17-4)8(19)21-2-5(18)16-9(20)15-3-10(11,12)13/h2-3,14H2,1H3,(H2,15,16,18,20)
InChIKeyCFSROLQKRKLYIM-UHFFFAOYSA-N
XLogP0.11
TPSA136.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 46639801) is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OCC(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is CFSROLQKRKLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O5/c1-4-6(7(14)22-17-4)8(19)21-2-5(18)16-9(20)15-3-10(11,12)13/h2-3,14H2,1H3,(H2,15,16,18,20).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 324.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 46639801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).