2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

C12H23N3O3 — CID 102926485

IUPAC2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1nc(CCOCCOC)no1
InChIInChI=1S/C12H23N3O3/c1-4-12(2,9-13)11-14-10(15-18-11)5-6-17-8-7-16-3/h4-9,13H2,1-3H3
InChIKeyGITLZRDWBSKGKS-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.90
Rot. Bonds9

About 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (PubChem CID 102926485) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
PubChem CID102926485
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1nc(CCOCCOC)no1
InChIInChI=1S/C12H23N3O3/c1-4-12(2,9-13)11-14-10(15-18-11)5-6-17-8-7-16-3/h4-9,13H2,1-3H3
InChIKeyGITLZRDWBSKGKS-UHFFFAOYSA-N
XLogP0.90
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 102926817
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 102926746
5-(1-amino-2-methylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631791
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 102926823
2,3-dimethyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103146017
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 102926611
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 102926644
ethyl 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 102926997
5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole
CID 102926413
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 102926483

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The IUPAC name of 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (CID 102926485) is 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is CCC(C)(CN)c1nc(CCOCCOC)no1.
What is the InChIKey of 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The InChIKey is GITLZRDWBSKGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-12(2,9-13)11-14-10(15-18-11)5-6-17-8-7-16-3/h4-9,13H2,1-3H3.
What are the key properties of 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 102926485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).