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

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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).