2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C13H15N3O3 — CID 75505999

IUPAC2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NC)no1
InChIInChI=1S/C13H15N3O3/c1-3-18-10-7-5-4-6-9(10)13-15-11(16-19-13)8-12(17)14-2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKeyWCNVKMXMSKYUSK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.42
Rot. Bonds5

About 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 75505999) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID75505999
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NC)no1
InChIInChI=1S/C13H15N3O3/c1-3-18-10-7-5-4-6-9(10)13-15-11(16-19-13)8-12(17)14-2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKeyWCNVKMXMSKYUSK-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide 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

[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660254
N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342561
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
N-methyl-2-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 71970429
2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 119050714
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71919450
N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 4998664
N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 71852002
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 75505999) is 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CCOc1ccccc1-c1nc(CC(=O)NC)no1.
What is the InChIKey of 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is WCNVKMXMSKYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-18-10-7-5-4-6-9(10)13-15-11(16-19-13)8-12(17)14-2/h4-7H,3,8H2,1-2H3,(H,14,17).
What are the key properties of 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 261.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 75505999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).