1-(1,2-oxazol-3-yl)ethanamine;hydrochloride

C5H9ClN2O — CID 55253351

IUPAC1-(1,2-oxazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccon1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4(6)5-2-3-8-7-5;/h2-4H,6H2,1H3;1H
InChIKeyFRLMVSZWXJFDFG-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.12
Rot. Bonds1

About 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride

1-(1,2-oxazol-3-yl)ethanamine;hydrochloride (PubChem CID 55253351) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)ethanamine;hydrochloride
PubChem CID55253351
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name1-(1,2-oxazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccon1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4(6)5-2-3-8-7-5;/h2-4H,6H2,1H3;1H
InChIKeyFRLMVSZWXJFDFG-UHFFFAOYSA-N
XLogP1.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride (CID 55253351) is 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride is CC(N)c1ccon1.Cl.
What is the InChIKey of 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride?
The InChIKey is FRLMVSZWXJFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-4(6)5-2-3-8-7-5;/h2-4H,6H2,1H3;1H.
What are the key properties of 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride?
1-(1,2-oxazol-3-yl)ethanamine;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 55253351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).