(3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate

C9H11F3N2O5 — CID 10850587

IUPAC(3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate
SMILESCCOC(=O)c1cc(C[NH3+])on1.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H10N2O3.C2HF3O2/c1-2-11-7(10)6-3-5(4-8)12-9-6;3-2(4,5)1(6)7/h3H,2,4,8H2,1H3;(H,6,7)
InChIKeyUYEJALUZYCJEKP-UHFFFAOYSA-N
MW284.19 g/mol
LogP-1.11
Rot. Bonds3

About (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate

(3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate (PubChem CID 10850587) has the molecular formula C9H11F3N2O5 and a molecular weight of 284.19 g/mol. Its IUPAC name is (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate
PubChem CID10850587
Molecular FormulaC9H11F3N2O5
Molecular Weight284.19 g/mol
Exact Mass284.06
IUPAC Name(3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate
SMILESCCOC(=O)c1cc(C[NH3+])on1.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H10N2O3.C2HF3O2/c1-2-11-7(10)6-3-5(4-8)12-9-6;3-2(4,5)1(6)7/h3H,2,4,8H2,1H3;(H,6,7)
InChIKeyUYEJALUZYCJEKP-UHFFFAOYSA-N
XLogP-1.11
TPSA120.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate?
The IUPAC name of (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate (CID 10850587) is (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate is CCOC(=O)c1cc(C[NH3+])on1.O=C([O-])C(F)(F)F.
What is the InChIKey of (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate?
The InChIKey is UYEJALUZYCJEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.C2HF3O2/c1-2-11-7(10)6-3-5(4-8)12-9-6;3-2(4,5)1(6)7/h3H,2,4,8H2,1H3;(H,6,7).
What are the key properties of (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate?
(3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate has a molecular weight of 284.19 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycarbonyl-1,2-oxazol-5-yl)methylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 10850587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).