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

C12H15ClN2O3 — CID 155510440

IUPAC2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(COc2ccccc2)on1
InChIInChI=1S/C12H14N2O3.ClH/c13-6-7-15-12-8-11(17-14-12)9-16-10-4-2-1-3-5-10;/h1-5,8H,6-7,9,13H2;1H
InChIKeyVTRIBKIULOYQNH-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.01
Rot. Bonds6

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

2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (PubChem CID 155510440) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
PubChem CID155510440
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(COc2ccccc2)on1
InChIInChI=1S/C12H14N2O3.ClH/c13-6-7-15-12-8-11(17-14-12)9-16-10-4-2-1-3-5-10;/h1-5,8H,6-7,9,13H2;1H
InChIKeyVTRIBKIULOYQNH-UHFFFAOYSA-N
XLogP2.01
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (CID 155510440) is 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride is Cl.NCCOc1cc(COc2ccccc2)on1.
What is the InChIKey of 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The InChIKey is VTRIBKIULOYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.ClH/c13-6-7-15-12-8-11(17-14-12)9-16-10-4-2-1-3-5-10;/h1-5,8H,6-7,9,13H2;1H.
What are the key properties of 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride is sourced from PubChem (CID 155510440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).