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

C17H16N4O2S — CID 71784315

IUPACN-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C17H16N4O2S/c22-17(18-8-12-4-2-1-3-5-12)21-9-14(10-21)16-19-15(20-23-16)13-6-7-24-11-13/h1-7,11,14H,8-10H2,(H,18,22)
InChIKeyARKSPEJAYZEUGK-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.11
Rot. Bonds4

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

N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (PubChem CID 71784315) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
PubChem CID71784315
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C17H16N4O2S/c22-17(18-8-12-4-2-1-3-5-12)21-9-14(10-21)16-19-15(20-23-16)13-6-7-24-11-13/h1-7,11,14H,8-10H2,(H,18,22)
InChIKeyARKSPEJAYZEUGK-UHFFFAOYSA-N
XLogP3.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-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-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (CID 71784315) is N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is O=C(NCc1ccccc1)N1CC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The InChIKey is ARKSPEJAYZEUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-17(18-8-12-4-2-1-3-5-12)21-9-14(10-21)16-19-15(20-23-16)13-6-7-24-11-13/h1-7,11,14H,8-10H2,(H,18,22).
What are the key properties of N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 71784315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).