ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate

C5H7N3O3 — CID 59324055

IUPACethyl 5-amino-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)n1
InChIInChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-5(6)11-8-3/h2H2,1H3,(H2,6,7,8)
InChIKeyZRDSRXFGWKCXDJ-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.17
Rot. Bonds2

About ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate

ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate (PubChem CID 59324055) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1,2,4-oxadiazole-3-carboxylate
PubChem CID59324055
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Nameethyl 5-amino-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)n1
InChIInChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-5(6)11-8-3/h2H2,1H3,(H2,6,7,8)
InChIKeyZRDSRXFGWKCXDJ-UHFFFAOYSA-N
XLogP-0.17
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate 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 5-amino-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate (CID 59324055) is ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(N)n1.
What is the InChIKey of ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is ZRDSRXFGWKCXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-5(6)11-8-3/h2H2,1H3,(H2,6,7,8).
What are the key properties of ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 157.13 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 59324055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).