2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine

C6H11N3O3 — CID 104633601

IUPAC2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOCC(N)c1noc(OC)n1
InChIInChI=1S/C6H11N3O3/c1-10-3-4(7)5-8-6(11-2)12-9-5/h4H,3,7H2,1-2H3
InChIKeyWVFAZAQNNBCVNJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.28
Rot. Bonds4

About 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine

2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 104633601) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID104633601
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOCC(N)c1noc(OC)n1
InChIInChI=1S/C6H11N3O3/c1-10-3-4(7)5-8-6(11-2)12-9-5/h4H,3,7H2,1-2H3
InChIKeyWVFAZAQNNBCVNJ-UHFFFAOYSA-N
XLogP-0.28
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633817
1-[5-(3-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633756
3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole
CID 102660924
2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633580
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633581
1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633796
2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633749
1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096440
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine (CID 104633601) is 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine is COCC(N)c1noc(OC)n1.
What is the InChIKey of 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is WVFAZAQNNBCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-10-3-4(7)5-8-6(11-2)12-9-5/h4H,3,7H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine?
2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 173.17 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 104633601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).