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

C12H12ClF3N2O2 — CID 19596479

IUPAC2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(-c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C12H11F3N2O2.ClH/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;1H
InChIKeyYFYJLTXSMWLIBQ-UHFFFAOYSA-N
MW308.69 g/mol
LogP3.12
Rot. Bonds4

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

2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (PubChem CID 19596479) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
PubChem CID19596479
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC Name2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(-c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C12H11F3N2O2.ClH/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;1H
InChIKeyYFYJLTXSMWLIBQ-UHFFFAOYSA-N
XLogP3.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 53.12
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;hydrochloride?
The IUPAC name of 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (CID 19596479) is 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride is Cl.NCCOc1cc(-c2ccccc2C(F)(F)F)on1.
What is the InChIKey of 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The InChIKey is YFYJLTXSMWLIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2.ClH/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;1H.
What are the key properties of 2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
2-[[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride has a molecular weight of 308.69 g/mol, XLogP of 3.12, 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;hydrochloride is sourced from PubChem (CID 19596479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).