2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide

C14H18N4O2 — CID 61464371

IUPAC2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-10(14(19)15-2)16-9-13-17-12(18-20-13)8-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,19)
InChIKeyGXOWCLYPOXUUTM-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds6

About 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide (PubChem CID 61464371) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
PubChem CID61464371
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-10(14(19)15-2)16-9-13-17-12(18-20-13)8-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,19)
InChIKeyGXOWCLYPOXUUTM-UHFFFAOYSA-N
XLogP0.88
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide 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-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid;hydrochloride
CID 119912606
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentan-3-amine
CID 103746603
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 106547122
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide (CID 61464371) is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide?
The InChIKey is GXOWCLYPOXUUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(14(19)15-2)16-9-13-17-12(18-20-13)8-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,19).
What are the key properties of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide?
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 61464371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).