2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide

C13H16N4O2 — CID 106398305

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2noc(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)16-13(18)8-14-7-12-15-10(2)19-17-12/h3-6,14H,7-8H2,1-2H3,(H,16,18)
InChIKeyQNKSANZCHJCWQQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.41
Rot. Bonds5

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 106398305) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
PubChem CID106398305
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2noc(C)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)16-13(18)8-14-7-12-15-10(2)19-17-12/h3-6,14H,7-8H2,1-2H3,(H,16,18)
InChIKeyQNKSANZCHJCWQQ-UHFFFAOYSA-N
XLogP1.41
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)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

N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398064
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398495
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106398458
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75374599
(E)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]but-2-enoic acid
CID 106401708
1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 72887861
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
1-(4-indazol-1-ylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75454932

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide (CID 106398305) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCc2noc(C)n2)cc1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is QNKSANZCHJCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-5-11(6-4-9)16-13(18)8-14-7-12-15-10(2)19-17-12/h3-6,14H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 106398305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).