N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide

C17H18N4O2S — CID 71974158

IUPACN,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C17H18N4O2S/c1-21(2)16(22)9-12-5-3-4-6-14(12)18-10-15-19-17(23-20-15)13-7-8-24-11-13/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRWKGAGIJOZSJDL-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.04
Rot. Bonds6

About N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide

N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide (PubChem CID 71974158) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide
PubChem CID71974158
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C17H18N4O2S/c1-21(2)16(22)9-12-5-3-4-6-14(12)18-10-15-19-17(23-20-15)13-7-8-24-11-13/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRWKGAGIJOZSJDL-UHFFFAOYSA-N
XLogP3.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide 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

2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide
CID 71859126
2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 167747987
2,2,3-trimethyl-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 65264570
2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
CID 75436513
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79790929
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 47082712
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
methyl 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoate
CID 75384594
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide (CID 71974158) is N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide is CN(C)C(=O)Cc1ccccc1NCc1noc(-c2ccsc2)n1.
What is the InChIKey of N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide?
The InChIKey is RWKGAGIJOZSJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-21(2)16(22)9-12-5-3-4-6-14(12)18-10-15-19-17(23-20-15)13-7-8-24-11-13/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide?
N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71974158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).