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

C12H15N3O2S — CID 47431933

IUPAC2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1nc(-c2ccsc2)no1
InChIInChI=1S/C12H15N3O2S/c1-12(2,3)11(16)13-6-9-14-10(15-17-9)8-4-5-18-7-8/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyLYCJHEWTSJGCHE-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.46
Rot. Bonds3

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

2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 47431933) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID47431933
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1nc(-c2ccsc2)no1
InChIInChI=1S/C12H15N3O2S/c1-12(2,3)11(16)13-6-9-14-10(15-17-9)8-4-5-18-7-8/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyLYCJHEWTSJGCHE-UHFFFAOYSA-N
XLogP2.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-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

Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 48682452
methyl 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 17453489
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 6492223
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
CID 95306671
2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 55107388
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
4-methyl-6-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65289700
2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539230
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 47431933) is 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(C)(C)C(=O)NCc1nc(-c2ccsc2)no1.
What is the InChIKey of 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is LYCJHEWTSJGCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-12(2,3)11(16)13-6-9-14-10(15-17-9)8-4-5-18-7-8/h4-5,7H,6H2,1-3H3,(H,13,16).
What are the key properties of 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 265.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 47431933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).