ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate

C15H19N3O3S — CID 121116782

IUPACethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C15H19N3O3S/c1-2-20-13(19)9-18-6-3-11(4-7-18)14-16-17-15(21-14)12-5-8-22-10-12/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyOSXGRXSJROABPQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.54
Rot. Bonds5

About ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate

ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate (PubChem CID 121116782) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
PubChem CID121116782
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Nameethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C15H19N3O3S/c1-2-20-13(19)9-18-6-3-11(4-7-18)14-16-17-15(21-14)12-5-8-22-10-12/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyOSXGRXSJROABPQ-UHFFFAOYSA-N
XLogP2.54
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate 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 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate (CID 121116782) is ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate is CCOC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate?
The InChIKey is OSXGRXSJROABPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-20-13(19)9-18-6-3-11(4-7-18)14-16-17-15(21-14)12-5-8-22-10-12/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate?
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate has a molecular weight of 321.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 121116782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).