N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C18H19N3O2S — CID 23612290

IUPACN-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1C
InChIInChI=1S/C18H19N3O2S/c1-12-6-3-7-14(13(12)2)19-16(22)9-4-10-17-20-18(21-23-17)15-8-5-11-24-15/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,22)
InChIKeyAFBSLVHCTHZCBF-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.38
Rot. Bonds6

About N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 23612290) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID23612290
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1C
InChIInChI=1S/C18H19N3O2S/c1-12-6-3-7-14(13(12)2)19-16(22)9-4-10-17-20-18(21-23-17)15-8-5-11-24-15/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,22)
InChIKeyAFBSLVHCTHZCBF-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
N-(2-piperidin-1-yl-3-pyridinyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55978291
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38934084
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 56502481
N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36666041
N-[4-(dimethylamino)-3,5-difluorophenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55862290
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 23612290) is N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is Cc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is AFBSLVHCTHZCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-6-3-7-14(13(12)2)19-16(22)9-4-10-17-20-18(21-23-17)15-8-5-11-24-15/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 341.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 23612290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).