N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H17N3O2S — CID 5309130

IUPACN-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C17H17N3O2S/c1-2-12-5-3-6-13(11-12)18-15(21)8-9-16-19-17(20-22-16)14-7-4-10-23-14/h3-7,10-11H,2,8-9H2,1H3,(H,18,21)
InChIKeyJCEIHXIUBKRJRM-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.93
Rot. Bonds6

About N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 5309130) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID5309130
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C17H17N3O2S/c1-2-12-5-3-6-13(11-12)18-15(21)8-9-16-19-17(20-22-16)14-7-4-10-23-14/h3-7,10-11H,2,8-9H2,1H3,(H,18,21)
InChIKeyJCEIHXIUBKRJRM-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide 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-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 5309130) is N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JCEIHXIUBKRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-12-5-3-6-13(11-12)18-15(21)8-9-16-19-17(20-22-16)14-7-4-10-23-14/h3-7,10-11H,2,8-9H2,1H3,(H,18,21).
What are the key properties of N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 5309130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).