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

C6H9N3O3 — CID 14875819

IUPACethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(N)no1
InChIInChI=1S/C6H9N3O3/c1-2-11-5(10)3-4-8-6(7)9-12-4/h2-3H2,1H3,(H2,7,9)
InChIKeyIQGGFFROJMZSSH-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.24
Rot. Bonds3

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

ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 14875819) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate
PubChem CID14875819
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Nameethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(N)no1
InChIInChI=1S/C6H9N3O3/c1-2-11-5(10)3-4-8-6(7)9-12-4/h2-3H2,1H3,(H2,7,9)
InChIKeyIQGGFFROJMZSSH-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-(3-amino-1,2,4-oxadiazol-5-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate (CID 14875819) is ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate is CCOC(=O)Cc1nc(N)no1.
What is the InChIKey of ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is IQGGFFROJMZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-2-11-5(10)3-4-8-6(7)9-12-4/h2-3H2,1H3,(H2,7,9).
What are the key properties of ethyl 2-(3-amino-1,2,4-oxadiazol-5-yl)acetate?
ethyl 2-(3-amino-1,2,4-oxadiazol-5-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-(3-amino-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 14875819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).