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

C5H10ClN3O2 — CID 46736906

IUPAC[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCOCc1noc(CN)n1.Cl
InChIInChI=1S/C5H9N3O2.ClH/c1-9-3-4-7-5(2-6)10-8-4;/h2-3,6H2,1H3;1H
InChIKeyCXDCHHRHXFOUDH-UHFFFAOYSA-N
MW179.61 g/mol
LogP0.10
Rot. Bonds3

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

[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 46736906) has the molecular formula C5H10ClN3O2 and a molecular weight of 179.61 g/mol. Its IUPAC name is [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID46736906
Molecular FormulaC5H10ClN3O2
Molecular Weight179.61 g/mol
Exact Mass179.05
IUPAC Name[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCOCc1noc(CN)n1.Cl
InChIInChI=1S/C5H9N3O2.ClH/c1-9-3-4-7-5(2-6)10-8-4;/h2-3,6H2,1H3;1H
InChIKeyCXDCHHRHXFOUDH-UHFFFAOYSA-N
XLogP0.10
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 46736906) is [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is COCc1noc(CN)n1.Cl.
What is the InChIKey of [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is CXDCHHRHXFOUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2.ClH/c1-9-3-4-7-5(2-6)10-8-4;/h2-3,6H2,1H3;1H.
What are the key properties of [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 179.61 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 46736906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).