methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

C11H16N2O4 — CID 79734193

IUPACmethyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(C)c1noc(C2(C(=O)OC)CC2)n1
InChIInChI=1S/C11H16N2O4/c1-4-16-7(2)8-12-9(17-13-8)11(5-6-11)10(14)15-3/h7H,4-6H2,1-3H3
InChIKeyLOAMWTZNLOGWAH-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.37
Rot. Bonds5

About methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 79734193) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID79734193
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(C)c1noc(C2(C(=O)OC)CC2)n1
InChIInChI=1S/C11H16N2O4/c1-4-16-7(2)8-12-9(17-13-8)11(5-6-11)10(14)15-3/h7H,4-6H2,1-3H3
InChIKeyLOAMWTZNLOGWAH-UHFFFAOYSA-N
XLogP1.37
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734885
ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79617110
methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
methyl 1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734680
ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 116704869
methyl 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734287
ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 116704927
methyl 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 102927035
3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 71924866
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 64533837
methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 116808572
methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79714469

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 79734193) is methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is CCOC(C)c1noc(C2(C(=O)OC)CC2)n1.
What is the InChIKey of methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is LOAMWTZNLOGWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-7(2)8-12-9(17-13-8)11(5-6-11)10(14)15-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79734193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).