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

C9H14N2O4 — CID 79475312

IUPACethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(CCOC)no1
InChIInChI=1S/C9H14N2O4/c1-3-14-9(12)6-8-10-7(11-15-8)4-5-13-2/h3-6H2,1-2H3
InChIKeyGJRHXHBSJPNYMZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.36
Rot. Bonds6

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

ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79475312) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79475312
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(CCOC)no1
InChIInChI=1S/C9H14N2O4/c1-3-14-9(12)6-8-10-7(11-15-8)4-5-13-2/h3-6H2,1-2H3
InChIKeyGJRHXHBSJPNYMZ-UHFFFAOYSA-N
XLogP0.36
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379498
ethyl 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 116744036
ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474342
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
ethyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474823
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 82895462
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350060

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79475312) is ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(CCOC)no1.
What is the InChIKey of ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is GJRHXHBSJPNYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-14-9(12)6-8-10-7(11-15-8)4-5-13-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 214.22 g/mol, XLogP of 0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79475312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).