ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate

C10H14N2O3 — CID 63379547

IUPACethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CCCC2)n1
InChIInChI=1S/C10H14N2O3/c1-2-14-10(13)8-11-9(15-12-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyMTWGQJJQLKJIOH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.90
Rot. Bonds3

About ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate

ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate (PubChem CID 63379547) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
PubChem CID63379547
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CCCC2)n1
InChIInChI=1S/C10H14N2O3/c1-2-14-10(13)8-11-9(15-12-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyMTWGQJJQLKJIOH-UHFFFAOYSA-N
XLogP1.90
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate (CID 63379547) is ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2CCCC2)n1.
What is the InChIKey of ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is MTWGQJJQLKJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-14-10(13)8-11-9(15-12-8)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 63379547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).