2-(1,2-oxazol-5-yl)ethanamine;hydrochloride

C5H9ClN2O — CID 84649242

IUPAC2-(1,2-oxazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccno1
InChIInChI=1S/C5H8N2O.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2;1H
InChIKeyVSLCZBRULSYOGA-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.60
Rot. Bonds2

About 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride

2-(1,2-oxazol-5-yl)ethanamine;hydrochloride (PubChem CID 84649242) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2-oxazol-5-yl)ethanamine;hydrochloride
PubChem CID84649242
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name2-(1,2-oxazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccno1
InChIInChI=1S/C5H8N2O.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2;1H
InChIKeyVSLCZBRULSYOGA-UHFFFAOYSA-N
XLogP0.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride (CID 84649242) is 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride?
The InChIKey is VSLCZBRULSYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2;1H.
What are the key properties of 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride?
2-(1,2-oxazol-5-yl)ethanamine;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 84649242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).