ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate

C9H14N4O4 — CID 103744236

IUPACethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1ncno1
InChIInChI=1S/C9H14N4O4/c1-2-16-8(14)5-11-9(15)10-4-3-7-12-6-13-17-7/h6H,2-5H2,1H3,(H2,10,11,15)
InChIKeyYQJALYBJEZGBPU-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.53
Rot. Bonds6

About ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate

ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate (PubChem CID 103744236) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate
PubChem CID103744236
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1ncno1
InChIInChI=1S/C9H14N4O4/c1-2-16-8(14)5-11-9(15)10-4-3-7-12-6-13-17-7/h6H,2-5H2,1H3,(H2,10,11,15)
InChIKeyYQJALYBJEZGBPU-UHFFFAOYSA-N
XLogP-0.53
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate (CID 103744236) is ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCc1ncno1.
What is the InChIKey of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate?
The InChIKey is YQJALYBJEZGBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-2-16-8(14)5-11-9(15)10-4-3-7-12-6-13-17-7/h6H,2-5H2,1H3,(H2,10,11,15).
What are the key properties of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate?
ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate has a molecular weight of 242.23 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 103744236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).