ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate

C6H9N3O3 — CID 82358306

IUPACethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1nonc1N
InChIInChI=1S/C6H9N3O3/c1-2-11-5(10)3-4-6(7)9-12-8-4/h2-3H2,1H3,(H2,7,9)
InChIKeyRRKYFBLYOIZVLP-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.24
Rot. Bonds3

About ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate

ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate (PubChem CID 82358306) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
PubChem CID82358306
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Nameethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1nonc1N
InChIInChI=1S/C6H9N3O3/c1-2-11-5(10)3-4-6(7)9-12-8-4/h2-3H2,1H3,(H2,7,9)
InChIKeyRRKYFBLYOIZVLP-UHFFFAOYSA-N
XLogP-0.24
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-amino-5-ethyl-1,3-thiazol-4-yl)acetate
CID 817050
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 82358419
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate
CID 167001401
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
CID 133096784
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890
ethyl 2-(5-amino-4-methyl-2-pyridinyl)acetate
CID 133098372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate (CID 82358306) is ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate is CCOC(=O)Cc1nonc1N.
What is the InChIKey of ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate?
The InChIKey is RRKYFBLYOIZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-2-11-5(10)3-4-6(7)9-12-8-4/h2-3H2,1H3,(H2,7,9).
What are the key properties of ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate?
ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate has a molecular weight of 171.16 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate is sourced from PubChem (CID 82358306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).