ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate

C11H17N3O3 — CID 78964769

IUPACethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1nonc1C
InChIInChI=1S/C11H17N3O3/c1-4-6-14(8-11(15)16-5-2)7-10-9(3)12-17-13-10/h4H,1,5-8H2,2-3H3
InChIKeyPXQCZIVTJDSNBQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.93
Rot. Bonds7

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

ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate (PubChem CID 78964769) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate
PubChem CID78964769
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1nonc1C
InChIInChI=1S/C11H17N3O3/c1-4-6-14(8-11(15)16-5-2)7-10-9(3)12-17-13-10/h4H,1,5-8H2,2-3H3
InChIKeyPXQCZIVTJDSNBQ-UHFFFAOYSA-N
XLogP0.93
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate (CID 78964769) is ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)Cc1nonc1C.
What is the InChIKey of ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate?
The InChIKey is PXQCZIVTJDSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-6-14(8-11(15)16-5-2)7-10-9(3)12-17-13-10/h4H,1,5-8H2,2-3H3.
What are the key properties of ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate?
ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate is sourced from PubChem (CID 78964769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).