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

C11H19N3O3 — CID 106416401

IUPACbutyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
SMILESCCCCOC(=O)CNCCc1nc(C)no1
InChIInChI=1S/C11H19N3O3/c1-3-4-7-16-11(15)8-12-6-5-10-13-9(2)14-17-10/h12H,3-8H2,1-2H3
InChIKeyCOHURROONBGMDY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.85
Rot. Bonds8

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

butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate (PubChem CID 106416401) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate.

Molecular Properties

Compound Namebutyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
PubChem CID106416401
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namebutyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
SMILESCCCCOC(=O)CNCCc1nc(C)no1
InChIInChI=1S/C11H19N3O3/c1-3-4-7-16-11(15)8-12-6-5-10-13-9(2)14-17-10/h12H,3-8H2,1-2H3
InChIKeyCOHURROONBGMDY-UHFFFAOYSA-N
XLogP0.85
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.85
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
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
CID 106419650
butyl 2-(octylamino)acetate
CID 115567498
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
butyl 2-(2-phenylethylamino)acetate
CID 60679601
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
butyl 2-[2-(5-bromothiophen-2-yl)ethylamino]acetate
CID 106037206
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
propyl 2-(butylamino)acetate
CID 118604269
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
The IUPAC name of butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate (CID 106416401) is butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate.
What is the SMILES notation for butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
The canonical SMILES for butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate is CCCCOC(=O)CNCCc1nc(C)no1.
What is the InChIKey of butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
The InChIKey is COHURROONBGMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-4-7-16-11(15)8-12-6-5-10-13-9(2)14-17-10/h12H,3-8H2,1-2H3.
What are the key properties of butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate?
butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate has a molecular weight of 241.29 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate is sourced from PubChem (CID 106416401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).