N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C13H22N4O2 — CID 102791360

IUPACN-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC2(NC)CCCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-15-12(18)11-16-10(19-17-11)9-13(14-2)7-5-4-6-8-13/h14H,3-9H2,1-2H3,(H,15,18)
InChIKeyCWTBRXBBNSPIIU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.28
Rot. Bonds5

About N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide

N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791360) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791360
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC2(NC)CCCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-15-12(18)11-16-10(19-17-11)9-13(14-2)7-5-4-6-8-13/h14H,3-9H2,1-2H3,(H,15,18)
InChIKeyCWTBRXBBNSPIIU-UHFFFAOYSA-N
XLogP1.28
TPSA80.05 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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146
1-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 102926870
1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 107925102
1-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243264
1-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 104609689
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791394
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243026
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631985
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 65243169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 102791360) is N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(CC2(NC)CCCCC2)n1.
What is the InChIKey of N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CWTBRXBBNSPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-15-12(18)11-16-10(19-17-11)9-13(14-2)7-5-4-6-8-13/h14H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).