N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

C17H21FN4O3 — CID 91907930

IUPACN-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C17H21FN4O3/c1-2-19-17(23)22-9-5-6-12(10-22)16-20-15(25-21-16)11-24-14-8-4-3-7-13(14)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,23)
InChIKeyYNCZBJMKWDEHQH-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide

N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91907930) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91907930
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C17H21FN4O3/c1-2-19-17(23)22-9-5-6-12(10-22)16-20-15(25-21-16)11-24-14-8-4-3-7-13(14)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,23)
InChIKeyYNCZBJMKWDEHQH-UHFFFAOYSA-N
XLogP2.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide 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 N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91907930) is N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is CCNC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is YNCZBJMKWDEHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-2-19-17(23)22-9-5-6-12(10-22)16-20-15(25-21-16)11-24-14-8-4-3-7-13(14)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,23).
What are the key properties of N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91907930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).