3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide

C15H18N4O2 — CID 71783743

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C15H18N4O2/c1-2-16-15(20)19-9-12(10-19)14-17-13(18-21-14)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)
InChIKeyJCSMACIGNWXFMX-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.79
Rot. Bonds4

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide (PubChem CID 71783743) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide
PubChem CID71783743
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C15H18N4O2/c1-2-16-15(20)19-9-12(10-19)14-17-13(18-21-14)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)
InChIKeyJCSMACIGNWXFMX-UHFFFAOYSA-N
XLogP1.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-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 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide (CID 71783743) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide is CCNC(=O)N1CC(c2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide?
The InChIKey is JCSMACIGNWXFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-16-15(20)19-9-12(10-19)14-17-13(18-21-14)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20).
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide is sourced from PubChem (CID 71783743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).