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

C9H15N3O3 — CID 106399552

IUPACethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCc1ncno1
InChIInChI=1S/C9H15N3O3/c1-2-14-9(13)4-6-10-5-3-8-11-7-12-15-8/h7,10H,2-6H2,1H3
InChIKeyGVPKVJQNZPJRKY-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.15
Rot. Bonds7

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

ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate (PubChem CID 106399552) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
PubChem CID106399552
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCc1ncno1
InChIInChI=1S/C9H15N3O3/c1-2-14-9(13)4-6-10-5-3-8-11-7-12-15-8/h7,10H,2-6H2,1H3
InChIKeyGVPKVJQNZPJRKY-UHFFFAOYSA-N
XLogP0.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.15
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 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106411484
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399515
ethyl 4-amino-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoate
CID 106407389
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399915
methyl 2-[2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]acetate
CID 106400053
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
CID 106401863
3-methyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]but-2-enoic acid
CID 106401980

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The IUPAC name of ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate (CID 106399552) is ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate is CCOC(=O)CCNCCc1ncno1.
What is the InChIKey of ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The InChIKey is GVPKVJQNZPJRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-14-9(13)4-6-10-5-3-8-11-7-12-15-8/h7,10H,2-6H2,1H3.
What are the key properties of ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate has a molecular weight of 213.24 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate is sourced from PubChem (CID 106399552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).