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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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).