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

C8H13N3O3 — CID 106417020

IUPACmethyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
SMILESCOC(=O)CNCCc1nc(C)no1
InChIInChI=1S/C8H13N3O3/c1-6-10-7(14-11-6)3-4-9-5-8(12)13-2/h9H,3-5H2,1-2H3
InChIKeyVNQFFRMIRGQTGJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.32
Rot. Bonds5

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

methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate (PubChem CID 106417020) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
PubChem CID106417020
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namemethyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
SMILESCOC(=O)CNCCc1nc(C)no1
InChIInChI=1S/C8H13N3O3/c1-6-10-7(14-11-6)3-4-9-5-8(12)13-2/h9H,3-5H2,1-2H3
InChIKeyVNQFFRMIRGQTGJ-UHFFFAOYSA-N
XLogP-0.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.32
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

propan-2-yl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416705
butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416401
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
CID 106419650
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106417232
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
N-(5-chloro-2-methylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106417038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate (CID 106417020) is methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate is COC(=O)CNCCc1nc(C)no1.
What is the InChIKey of methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
The InChIKey is VNQFFRMIRGQTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6-10-7(14-11-6)3-4-9-5-8(12)13-2/h9H,3-5H2,1-2H3.
What are the key properties of methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate has a molecular weight of 199.21 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate is sourced from PubChem (CID 106417020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).