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

C13H15N3O3 — CID 110410122

IUPACN-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cc1noc(C)n1
InChIInChI=1S/C13H15N3O3/c1-9-15-12(16-19-9)7-13(17)14-8-10-5-3-4-6-11(10)18-2/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyGESQOYJPKOLBPQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110410122) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110410122
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cc1noc(C)n1
InChIInChI=1S/C13H15N3O3/c1-9-15-12(16-19-9)7-13(17)14-8-10-5-3-4-6-11(10)18-2/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyGESQOYJPKOLBPQ-UHFFFAOYSA-N
XLogP1.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622104
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110422441
2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
CID 141034258
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46354981
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9404923

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110410122) is N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is COc1ccccc1CNC(=O)Cc1noc(C)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is GESQOYJPKOLBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-15-12(16-19-9)7-13(17)14-8-10-5-3-4-6-11(10)18-2/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110410122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).