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

C12H19N3O3 — CID 78979130

IUPACethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1nnc(CC)o1
InChIInChI=1S/C12H19N3O3/c1-4-7-15(9-12(16)17-6-3)8-11-14-13-10(5-2)18-11/h4H,1,5-9H2,2-3H3
InChIKeySQLFEXWPLIPNJY-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.18
Rot. Bonds8

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

ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate (PubChem CID 78979130) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate
PubChem CID78979130
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1nnc(CC)o1
InChIInChI=1S/C12H19N3O3/c1-4-7-15(9-12(16)17-6-3)8-11-14-13-10(5-2)18-11/h4H,1,5-9H2,2-3H3
InChIKeySQLFEXWPLIPNJY-UHFFFAOYSA-N
XLogP1.18
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.18
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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate (CID 78979130) is ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)Cc1nnc(CC)o1.
What is the InChIKey of ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate?
The InChIKey is SQLFEXWPLIPNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-7-15(9-12(16)17-6-3)8-11-14-13-10(5-2)18-11/h4H,1,5-9H2,2-3H3.
What are the key properties of ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate?
ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate is sourced from PubChem (CID 78979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).