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

C13H21N3O3 — CID 52571666

IUPAC2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
SMILESCCOCC(=O)NC1(c2noc(C)n2)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-3-18-9-11(17)15-13(7-5-4-6-8-13)12-14-10(2)19-16-12/h3-9H2,1-2H3,(H,15,17)
InChIKeyYXFIMTXGBTYNFM-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.69
Rot. Bonds5

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

2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide (PubChem CID 52571666) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
PubChem CID52571666
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
SMILESCCOCC(=O)NC1(c2noc(C)n2)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-3-18-9-11(17)15-13(7-5-4-6-8-13)12-14-10(2)19-16-12/h3-9H2,1-2H3,(H,15,17)
InChIKeyYXFIMTXGBTYNFM-UHFFFAOYSA-N
XLogP1.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide (CID 52571666) is 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide is CCOCC(=O)NC1(c2noc(C)n2)CCCCC1.
What is the InChIKey of 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The InChIKey is YXFIMTXGBTYNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-18-9-11(17)15-13(7-5-4-6-8-13)12-14-10(2)19-16-12/h3-9H2,1-2H3,(H,15,17).
What are the key properties of 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide is sourced from PubChem (CID 52571666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).