ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate

C10H16N2O3 — CID 79020555

IUPACethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCCCc1noc(C(C)C(=O)OCC)n1
InChIInChI=1S/C10H16N2O3/c1-4-6-8-11-9(15-12-8)7(3)10(13)14-5-2/h7H,4-6H2,1-3H3
InChIKeyWAHFYWOCSHJIOR-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.69
Rot. Bonds5

About ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate

ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 79020555) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID79020555
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCCCc1noc(C(C)C(=O)OCC)n1
InChIInChI=1S/C10H16N2O3/c1-4-6-8-11-9(15-12-8)7(3)10(13)14-5-2/h7H,4-6H2,1-3H3
InChIKeyWAHFYWOCSHJIOR-UHFFFAOYSA-N
XLogP1.69
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate 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-propyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate (CID 79020555) is ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate is CCCc1noc(C(C)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is WAHFYWOCSHJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-6-8-11-9(15-12-8)7(3)10(13)14-5-2/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate?
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 212.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 79020555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).