5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C10H18N4O2 — CID 102791278

IUPAC5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC(CC)CN)n1
InChIInChI=1S/C10H18N4O2/c1-3-7(6-11)5-8-13-9(14-16-8)10(15)12-4-2/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyGRFAQCNCFOHUPN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.35
Rot. Bonds6

About 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791278) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791278
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC(CC)CN)n1
InChIInChI=1S/C10H18N4O2/c1-3-7(6-11)5-8-13-9(14-16-8)10(15)12-4-2/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyGRFAQCNCFOHUPN-UHFFFAOYSA-N
XLogP0.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790253
5-(3-cyano-2-methylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527914
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791394
5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791100
5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791281
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791094
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790560
N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791360

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791278) is 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(CC(CC)CN)n1.
What is the InChIKey of 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is GRFAQCNCFOHUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-7(6-11)5-8-13-9(14-16-8)10(15)12-4-2/h7H,3-6,11H2,1-2H3,(H,12,15).
What are the key properties of 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).