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

C6H11N3O2 — CID 61334110

IUPAC2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCc1nc(CCN)no1
InChIInChI=1S/C6H11N3O2/c1-10-4-6-8-5(2-3-7)9-11-6/h2-4,7H2,1H3
InChIKeyDWDJYMYZOFAWJQ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.28
Rot. Bonds4

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

2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61334110) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61334110
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCc1nc(CCN)no1
InChIInChI=1S/C6H11N3O2/c1-10-4-6-8-5(2-3-7)9-11-6/h2-4,7H2,1H3
InChIKeyDWDJYMYZOFAWJQ-UHFFFAOYSA-N
XLogP-0.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61334110) is 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is COCc1nc(CCN)no1.
What is the InChIKey of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is DWDJYMYZOFAWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-10-4-6-8-5(2-3-7)9-11-6/h2-4,7H2,1H3.
What are the key properties of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 157.17 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61334110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).