ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate

C8H12N2O4 — CID 63379498

IUPACethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCOC)n1
InChIInChI=1S/C8H12N2O4/c1-3-13-8(11)7-9-6(14-10-7)4-5-12-2/h3-5H2,1-2H3
InChIKeyPNWIDIADJJVYLL-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.44
Rot. Bonds5

About ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 63379498) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID63379498
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCOC)n1
InChIInChI=1S/C8H12N2O4/c1-3-13-8(11)7-9-6(14-10-7)4-5-12-2/h3-5H2,1-2H3
InChIKeyPNWIDIADJJVYLL-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-phenoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379365
ethyl 5-(2-cyanoethyl)-1,2,4-oxadiazole-3-carboxylate
CID 106526587
ethyl 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379501
ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631568
ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 165485135
ethyl 5-(propylaminomethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631652
ethyl 5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631472
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382755
ethyl 5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631496
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate
CID 165484898
ethyl 5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631734

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate (CID 63379498) is ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(CCOC)n1.
What is the InChIKey of ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is PNWIDIADJJVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-3-13-8(11)7-9-6(14-10-7)4-5-12-2/h3-5H2,1-2H3.
What are the key properties of ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 200.19 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 63379498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).