ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate

C10H17N3O3 — CID 103714527

IUPACethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCc1noc(C)n1
InChIInChI=1S/C10H17N3O3/c1-3-15-10(14)5-7-11-6-4-9-12-8(2)16-13-9/h11H,3-7H2,1-2H3
InChIKeyWGFYTKFIYCUARU-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.46
Rot. Bonds7

About ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate

ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate (PubChem CID 103714527) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
PubChem CID103714527
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nameethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCc1noc(C)n1
InChIInChI=1S/C10H17N3O3/c1-3-15-10(14)5-7-11-6-4-9-12-8(2)16-13-9/h11H,3-7H2,1-2H3
InChIKeyWGFYTKFIYCUARU-UHFFFAOYSA-N
XLogP0.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106416031
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399552
methyl 2-bromo-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106419608
N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide
CID 106418352
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275
2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106416217
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
5-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 114186494
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332702

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The IUPAC name of ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate (CID 103714527) is ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate is CCOC(=O)CCNCCc1noc(C)n1.
What is the InChIKey of ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The InChIKey is WGFYTKFIYCUARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-15-10(14)5-7-11-6-4-9-12-8(2)16-13-9/h11H,3-7H2,1-2H3.
What are the key properties of ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate has a molecular weight of 227.26 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate is sourced from PubChem (CID 103714527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).