ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate

C7H11N3O3 — CID 10419889

IUPACethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCN)n1
InChIInChI=1S/C7H11N3O3/c1-2-12-7(11)6-9-5(3-4-8)13-10-6/h2-4,8H2,1H3
InChIKeyPFCATDAIDKUEFO-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.25
Rot. Bonds4

About ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 10419889) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID10419889
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Nameethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCN)n1
InChIInChI=1S/C7H11N3O3/c1-2-12-7(11)6-9-5(3-4-8)13-10-6/h2-4,8H2,1H3
InChIKeyPFCATDAIDKUEFO-UHFFFAOYSA-N
XLogP-0.25
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(2-aminoethyl)-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-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate (CID 10419889) is ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(CCN)n1.
What is the InChIKey of ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is PFCATDAIDKUEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-12-7(11)6-9-5(3-4-8)13-10-6/h2-4,8H2,1H3.
What are the key properties of ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 185.18 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 10419889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).