5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C11H18N4O2 — CID 91841371

IUPAC5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(C)CC2CCC2)n1
InChIInChI=1S/C11H18N4O2/c1-12-11(16)10-13-9(17-14-10)7-15(2)6-8-4-3-5-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyDLLQCZLTHVFMNT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.66
Rot. Bonds5

About 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 91841371) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID91841371
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(C)CC2CCC2)n1
InChIInChI=1S/C11H18N4O2/c1-12-11(16)10-13-9(17-14-10)7-15(2)6-8-4-3-5-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyDLLQCZLTHVFMNT-UHFFFAOYSA-N
XLogP0.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 91841371) is 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN(C)CC2CCC2)n1.
What is the InChIKey of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DLLQCZLTHVFMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-11(16)10-13-9(17-14-10)7-15(2)6-8-4-3-5-8/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 91841371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).