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

C10H14N2O4 — CID 81327711

IUPACethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CCC(C)O2)n1
InChIInChI=1S/C10H14N2O4/c1-3-14-10(13)8-11-9(16-12-8)7-5-4-6(2)15-7/h6-7H,3-5H2,1-2H3
InChIKeyUXIMBRIUPOOHMD-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.49
Rot. Bonds3

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

ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 81327711) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID81327711
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CCC(C)O2)n1
InChIInChI=1S/C10H14N2O4/c1-3-14-10(13)8-11-9(16-12-8)7-5-4-6(2)15-7/h6-7H,3-5H2,1-2H3
InChIKeyUXIMBRIUPOOHMD-UHFFFAOYSA-N
XLogP1.49
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate (CID 81327711) is ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2CCC(C)O2)n1.
What is the InChIKey of ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is UXIMBRIUPOOHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-14-10(13)8-11-9(16-12-8)7-5-4-6(2)15-7/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 81327711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).