2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine

C12H11F3N2O2 — CID 19596480

IUPAC2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)10-7-11(17-19-10)18-6-5-16/h1-4,7H,5-6,16H2
InChIKeyVEJJLKUFMOJIPO-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.70
Rot. Bonds4

About 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine

2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine (PubChem CID 19596480) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine
PubChem CID19596480
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)10-7-11(17-19-10)18-6-5-16/h1-4,7H,5-6,16H2
InChIKeyVEJJLKUFMOJIPO-UHFFFAOYSA-N
XLogP2.70
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
The IUPAC name of 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine (CID 19596480) is 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
The canonical SMILES for 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine is NCCOc1cc(-c2ccccc2C(F)(F)F)on1.
What is the InChIKey of 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
The InChIKey is VEJJLKUFMOJIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)10-7-11(17-19-10)18-6-5-16/h1-4,7H,5-6,16H2.
What are the key properties of 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine has a molecular weight of 272.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine is sourced from PubChem (CID 19596480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).