[5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride

C6H11ClN2O2 — CID 138040690

IUPAC[5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCOCc1cc(CN)no1.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-9-4-6-2-5(3-7)8-10-6;/h2H,3-4,7H2,1H3;1H
InChIKeyLFCGVJOUZZJSGA-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.70
Rot. Bonds3

About [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride

[5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (PubChem CID 138040690) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
PubChem CID138040690
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name[5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCOCc1cc(CN)no1.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-9-4-6-2-5(3-7)8-10-6;/h2H,3-4,7H2,1H3;1H
InChIKeyLFCGVJOUZZJSGA-UHFFFAOYSA-N
XLogP0.70
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (CID 138040690) is [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is COCc1cc(CN)no1.Cl.
What is the InChIKey of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The InChIKey is LFCGVJOUZZJSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c1-9-4-6-2-5(3-7)8-10-6;/h2H,3-4,7H2,1H3;1H.
What are the key properties of [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
[5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 138040690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).