methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate

C7H11N3O3 — CID 106401045

IUPACmethyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
SMILESCOC(=O)CNCCc1ncon1
InChIInChI=1S/C7H11N3O3/c1-12-7(11)4-8-3-2-6-9-5-13-10-6/h5,8H,2-4H2,1H3
InChIKeyJUMCRYQJKKTLTH-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.63
Rot. Bonds5

About methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate

methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate (PubChem CID 106401045) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
PubChem CID106401045
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Namemethyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
SMILESCOC(=O)CNCCc1ncon1
InChIInChI=1S/C7H11N3O3/c1-12-7(11)4-8-3-2-6-9-5-13-10-6/h5,8H,2-4H2,1H3
InChIKeyJUMCRYQJKKTLTH-UHFFFAOYSA-N
XLogP-0.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.63
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
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 106400593
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400786
N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106400868
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 106400784
N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400717
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106400586
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 114183997
tert-butyl N-[3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propyl]carbamate
CID 106396801
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-phenylpropanoate
CID 106401183
N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106401239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate (CID 106401045) is methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate is COC(=O)CNCCc1ncon1.
What is the InChIKey of methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate?
The InChIKey is JUMCRYQJKKTLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-12-7(11)4-8-3-2-6-9-5-13-10-6/h5,8H,2-4H2,1H3.
What are the key properties of methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate?
methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate has a molecular weight of 185.18 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate is sourced from PubChem (CID 106401045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).