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

C11H11ClN2O2 — CID 19596628

IUPAC2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C11H11ClN2O2/c12-9-4-2-1-3-8(9)10-7-11(14-16-10)15-6-5-13/h1-4,7H,5-6,13H2
InChIKeyYLKFTRGXCFAHPB-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.33
Rot. Bonds4

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

2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine (PubChem CID 19596628) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
PubChem CID19596628
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C11H11ClN2O2/c12-9-4-2-1-3-8(9)10-7-11(14-16-10)15-6-5-13/h1-4,7H,5-6,13H2
InChIKeyYLKFTRGXCFAHPB-UHFFFAOYSA-N
XLogP2.33
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine (CID 19596628) is 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine is NCCOc1cc(-c2ccccc2Cl)on1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
The InChIKey is YLKFTRGXCFAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-9-4-2-1-3-8(9)10-7-11(14-16-10)15-6-5-13/h1-4,7H,5-6,13H2.
What are the key properties of 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine?
2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine has a molecular weight of 238.67 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine is sourced from PubChem (CID 19596628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).