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

C13H16N4O3 — CID 106400786

IUPACN-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCCc2ncon2)cc1
InChIInChI=1S/C13H16N4O3/c1-19-11-4-2-10(3-5-11)16-13(18)8-14-7-6-12-15-9-20-17-12/h2-5,9,14H,6-8H2,1H3,(H,16,18)
InChIKeyDKSYOTKTXWHVSI-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.85
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (PubChem CID 106400786) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
PubChem CID106400786
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCCc2ncon2)cc1
InChIInChI=1S/C13H16N4O3/c1-19-11-4-2-10(3-5-11)16-13(18)8-14-7-6-12-15-9-20-17-12/h2-5,9,14H,6-8H2,1H3,(H,16,18)
InChIKeyDKSYOTKTXWHVSI-UHFFFAOYSA-N
XLogP0.85
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(4-ethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005223
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332382
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
N-(4-acetylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005263
N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61281225

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (CID 106400786) is N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is COc1ccc(NC(=O)CNCCc2ncon2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The InChIKey is DKSYOTKTXWHVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-11-4-2-10(3-5-11)16-13(18)8-14-7-6-12-15-9-20-17-12/h2-5,9,14H,6-8H2,1H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide has a molecular weight of 276.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 106400786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).