[5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride

C5H9ClN2O2 — CID 170914760

IUPAC[5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride
SMILESCl.NCc1cc(CO)no1
InChIInChI=1S/C5H8N2O2.ClH/c6-2-5-1-4(3-8)7-9-5;/h1,8H,2-3,6H2;1H
InChIKeyLJUYGRFDVHGGRI-UHFFFAOYSA-N
MW164.59 g/mol
LogP0.05
Rot. Bonds2

About [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride

[5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride (PubChem CID 170914760) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride
PubChem CID170914760
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Name[5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride
SMILESCl.NCc1cc(CO)no1
InChIInChI=1S/C5H8N2O2.ClH/c6-2-5-1-4(3-8)7-9-5;/h1,8H,2-3,6H2;1H
InChIKeyLJUYGRFDVHGGRI-UHFFFAOYSA-N
XLogP0.05
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride?
The IUPAC name of [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride (CID 170914760) is [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride.
What is the SMILES notation for [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride?
The canonical SMILES for [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride is Cl.NCc1cc(CO)no1.
What is the InChIKey of [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride?
The InChIKey is LJUYGRFDVHGGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.ClH/c6-2-5-1-4(3-8)7-9-5;/h1,8H,2-3,6H2;1H.
What are the key properties of [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride?
[5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride has a molecular weight of 164.59 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-1,2-oxazol-3-yl]methanol;hydrochloride is sourced from PubChem (CID 170914760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).