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

C5H9N3O2 — CID 25219208

IUPAC[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCc1noc(CN)n1
InChIInChI=1S/C5H9N3O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3,6H2,1H3
InChIKeyGVMRQEDXKZKKPX-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.33
Rot. Bonds3

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

[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 25219208) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID25219208
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCc1noc(CN)n1
InChIInChI=1S/C5H9N3O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3,6H2,1H3
InChIKeyGVMRQEDXKZKKPX-UHFFFAOYSA-N
XLogP-0.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.33
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?
The IUPAC name of [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 25219208) is [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine is COCc1noc(CN)n1.
What is the InChIKey of [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is GVMRQEDXKZKKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3,6H2,1H3.
What are the key properties of [3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 143.15 g/mol, XLogP of -0.33, 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 is sourced from PubChem (CID 25219208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).