ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate

C8H12N2O4 — CID 71683268

IUPACethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(COC)no1
InChIInChI=1S/C8H12N2O4/c1-3-13-8(11)4-7-9-6(5-12-2)10-14-7/h3-5H2,1-2H3
InChIKeyUJASMWQHBCFWBP-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.32
Rot. Bonds5

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

ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 71683268) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID71683268
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(COC)no1
InChIInChI=1S/C8H12N2O4/c1-3-13-8(11)4-7-9-6(5-12-2)10-14-7/h3-5H2,1-2H3
InChIKeyUJASMWQHBCFWBP-UHFFFAOYSA-N
XLogP0.32
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate (CID 71683268) is ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(COC)no1.
What is the InChIKey of ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is UJASMWQHBCFWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-3-13-8(11)4-7-9-6(5-12-2)10-14-7/h3-5H2,1-2H3.
What are the key properties of ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 200.19 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 71683268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).