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

C6H11ClN2O2 — CID 19108616

IUPAC2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride
SMILESCl.NCc1cc(CCO)no1
InChIInChI=1S/C6H10N2O2.ClH/c7-4-6-3-5(1-2-9)8-10-6;/h3,9H,1-2,4,7H2;1H
InChIKeyVMCFSBXBSRFISK-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.09
Rot. Bonds3

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

2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride (PubChem CID 19108616) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride
PubChem CID19108616
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride
SMILESCl.NCc1cc(CCO)no1
InChIInChI=1S/C6H10N2O2.ClH/c7-4-6-3-5(1-2-9)8-10-6;/h3,9H,1-2,4,7H2;1H
InChIKeyVMCFSBXBSRFISK-UHFFFAOYSA-N
XLogP0.09
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride?
The IUPAC name of 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride (CID 19108616) is 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride is Cl.NCc1cc(CCO)no1.
What is the InChIKey of 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride?
The InChIKey is VMCFSBXBSRFISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c7-4-6-3-5(1-2-9)8-10-6;/h3,9H,1-2,4,7H2;1H.
What are the key properties of 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride?
2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1,2-oxazol-3-yl]ethanol;hydrochloride is sourced from PubChem (CID 19108616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).