2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

C16H28N4O2 — CID 51107248

IUPAC2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCC(C)c1noc(CN(CCC2CCCCC2)CC(N)=O)n1
InChIInChI=1S/C16H28N4O2/c1-12(2)16-18-15(22-19-16)11-20(10-14(17)21)9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H2,17,21)
InChIKeyIIEZOMMGLFNKIJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.45
Rot. Bonds8

About 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (PubChem CID 51107248) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
PubChem CID51107248
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCC(C)c1noc(CN(CCC2CCCCC2)CC(N)=O)n1
InChIInChI=1S/C16H28N4O2/c1-12(2)16-18-15(22-19-16)11-20(10-14(17)21)9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H2,17,21)
InChIKeyIIEZOMMGLFNKIJ-UHFFFAOYSA-N
XLogP2.45
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (CID 51107248) is 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is CC(C)c1noc(CN(CCC2CCCCC2)CC(N)=O)n1.
What is the InChIKey of 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The InChIKey is IIEZOMMGLFNKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(2)16-18-15(22-19-16)11-20(10-14(17)21)9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H2,17,21).
What are the key properties of 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 51107248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).