ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate

C11H18N2O4 — CID 79472010

IUPACethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
SMILESCCOCc1noc(C(C)(C)C(=O)OCC)n1
InChIInChI=1S/C11H18N2O4/c1-5-15-7-8-12-9(17-13-8)11(3,4)10(14)16-6-2/h5-7H2,1-4H3
InChIKeyWSBAGYUZSXLZSX-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.45
Rot. Bonds6

About ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate

ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate (PubChem CID 79472010) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
PubChem CID79472010
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
SMILESCCOCc1noc(C(C)(C)C(=O)OCC)n1
InChIInChI=1S/C11H18N2O4/c1-5-15-7-8-12-9(17-13-8)11(3,4)10(14)16-6-2/h5-7H2,1-4H3
InChIKeyWSBAGYUZSXLZSX-UHFFFAOYSA-N
XLogP1.45
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472137
ethyl 2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79482945
ethyl 2-ethyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79471305
ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79471489
ethyl 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472004
ethyl 2-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79966783
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 104693284
ethyl 2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79471494
ethyl 2-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79471708
ethyl 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 81261874
ethyl 2-methyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 80620009
ethyl 2-ethyl-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79472781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate (CID 79472010) is ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate is CCOCc1noc(C(C)(C)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
The InChIKey is WSBAGYUZSXLZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-15-7-8-12-9(17-13-8)11(3,4)10(14)16-6-2/h5-7H2,1-4H3.
What are the key properties of ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate has a molecular weight of 242.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate is sourced from PubChem (CID 79472010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).