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

C11H16N2O3 — CID 112619348

IUPACethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CC2CCCC2)o1
InChIInChI=1S/C11H16N2O3/c1-2-15-11(14)10-13-12-9(16-10)7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyZULFVXIYPFPLGQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.98
Rot. Bonds4

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

ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112619348) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112619348
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CC2CCCC2)o1
InChIInChI=1S/C11H16N2O3/c1-2-15-11(14)10-13-12-9(16-10)7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyZULFVXIYPFPLGQ-UHFFFAOYSA-N
XLogP1.98
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate (CID 112619348) is ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(CC2CCCC2)o1.
What is the InChIKey of ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is ZULFVXIYPFPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-15-11(14)10-13-12-9(16-10)7-8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylmethyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112619348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).