2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride

C11H12Cl2N2O2 — CID 19596489

IUPAC2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C11H11ClN2O2.ClH/c12-9-3-1-8(2-4-9)10-7-11(14-16-10)15-6-5-13;/h1-4,7H,5-6,13H2;1H
InChIKeyUFAYQMXIEUHWQE-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.75
Rot. Bonds4

About 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride

2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (PubChem CID 19596489) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
PubChem CID19596489
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C11H11ClN2O2.ClH/c12-9-3-1-8(2-4-9)10-7-11(14-16-10)15-6-5-13;/h1-4,7H,5-6,13H2;1H
InChIKeyUFAYQMXIEUHWQE-UHFFFAOYSA-N
XLogP2.75
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (CID 19596489) is 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride is Cl.NCCOc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The InChIKey is UFAYQMXIEUHWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2.ClH/c12-9-3-1-8(2-4-9)10-7-11(14-16-10)15-6-5-13;/h1-4,7H,5-6,13H2;1H.
What are the key properties of 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride has a molecular weight of 275.13 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride is sourced from PubChem (CID 19596489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).