2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

C18H20N4O2S — CID 131894083

IUPAC2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1cccc(C)c1NC(C)C(=O)NCc1noc(-c2cccs2)n1
InChIInChI=1S/C18H20N4O2S/c1-11-6-4-7-12(2)16(11)20-13(3)17(23)19-10-15-21-18(24-22-15)14-8-5-9-25-14/h4-9,13,20H,10H2,1-3H3,(H,19,23)
InChIKeyJCYBFSBENWZFIF-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.53
Rot. Bonds6

About 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 131894083) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID131894083
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1cccc(C)c1NC(C)C(=O)NCc1noc(-c2cccs2)n1
InChIInChI=1S/C18H20N4O2S/c1-11-6-4-7-12(2)16(11)20-13(3)17(23)19-10-15-21-18(24-22-15)14-8-5-9-25-14/h4-9,13,20H,10H2,1-3H3,(H,19,23)
InChIKeyJCYBFSBENWZFIF-UHFFFAOYSA-N
XLogP3.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]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 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 131894083) is 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is Cc1cccc(C)c1NC(C)C(=O)NCc1noc(-c2cccs2)n1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is JCYBFSBENWZFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-6-4-7-12(2)16(11)20-13(3)17(23)19-10-15-21-18(24-22-15)14-8-5-9-25-14/h4-9,13,20H,10H2,1-3H3,(H,19,23).
What are the key properties of 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 356.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 131894083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).