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

C13H22N4O2 — CID 120841840

IUPAC2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-15-11(18)7-10-16-12(19-17-10)8-13(9-14)5-3-2-4-6-13/h2-9,14H2,1H3,(H,15,18)
InChIKeySPKZBJOXKIIOIK-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.81
Rot. Bonds5

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

2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 120841840) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID120841840
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-15-11(18)7-10-16-12(19-17-10)8-13(9-14)5-3-2-4-6-13/h2-9,14H2,1H3,(H,15,18)
InChIKeySPKZBJOXKIIOIK-UHFFFAOYSA-N
XLogP0.81
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 120841840) is 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(CC2(CN)CCCCC2)n1.
What is the InChIKey of 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is SPKZBJOXKIIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-11(18)7-10-16-12(19-17-10)8-13(9-14)5-3-2-4-6-13/h2-9,14H2,1H3,(H,15,18).
What are the key properties of 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 120841840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).