2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

C6H12ClN3O2 — CID 53433689

IUPAC2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCOCc1noc(CCN)n1.Cl
InChIInChI=1S/C6H11N3O2.ClH/c1-10-4-5-8-6(2-3-7)11-9-5;/h2-4,7H2,1H3;1H
InChIKeyLTYAJZZSSYHXKK-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.14
Rot. Bonds4

About 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (PubChem CID 53433689) has the molecular formula C6H12ClN3O2 and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
PubChem CID53433689
Molecular FormulaC6H12ClN3O2
Molecular Weight193.63 g/mol
Exact Mass193.06
IUPAC Name2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCOCc1noc(CCN)n1.Cl
InChIInChI=1S/C6H11N3O2.ClH/c1-10-4-5-8-6(2-3-7)11-9-5;/h2-4,7H2,1H3;1H
InChIKeyLTYAJZZSSYHXKK-UHFFFAOYSA-N
XLogP0.14
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (CID 53433689) is 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is COCc1noc(CCN)n1.Cl.
What is the InChIKey of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is LTYAJZZSSYHXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.ClH/c1-10-4-5-8-6(2-3-7)11-9-5;/h2-4,7H2,1H3;1H.
What are the key properties of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 53433689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).