N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide

C13H16N4O2 — CID 106401239

IUPACN-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESCc1cccc(NC(=O)CNCCc2ncon2)c1
InChIInChI=1S/C13H16N4O2/c1-10-3-2-4-11(7-10)16-13(18)8-14-6-5-12-15-9-19-17-12/h2-4,7,9,14H,5-6,8H2,1H3,(H,16,18)
InChIKeyNUQCZSFZSINPGA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.15
Rot. Bonds6

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

N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (PubChem CID 106401239) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
PubChem CID106401239
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESCc1cccc(NC(=O)CNCCc2ncon2)c1
InChIInChI=1S/C13H16N4O2/c1-10-3-2-4-11(7-10)16-13(18)8-14-6-5-12-15-9-19-17-12/h2-4,7,9,14H,5-6,8H2,1H3,(H,16,18)
InChIKeyNUQCZSFZSINPGA-UHFFFAOYSA-N
XLogP1.15
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022
5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
N-(3-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686325
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
CID 106046896
N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 29271657
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (CID 106401239) is N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is Cc1cccc(NC(=O)CNCCc2ncon2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The InChIKey is NUQCZSFZSINPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-3-2-4-11(7-10)16-13(18)8-14-6-5-12-15-9-19-17-12/h2-4,7,9,14H,5-6,8H2,1H3,(H,16,18).
What are the key properties of N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 106401239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).