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

C11H18N4O2 — CID 102791146

IUPAC5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC2(N)CCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-2-13-10(16)9-14-8(17-15-9)7-11(12)5-3-4-6-11/h2-7,12H2,1H3,(H,13,16)
InChIKeyKYNWYGSFLYZNKQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.63
Rot. Bonds4

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

5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791146) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791146
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC2(N)CCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-2-13-10(16)9-14-8(17-15-9)7-11(12)5-3-4-6-11/h2-7,12H2,1H3,(H,13,16)
InChIKeyKYNWYGSFLYZNKQ-UHFFFAOYSA-N
XLogP0.63
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791360
5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631985
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
5-(3-aminooxolan-3-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791400
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791394
5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791281
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791094
5-(2-aminocyclopentyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791399
5-(3-cyano-2-methylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527914
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 116704464
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791146) is 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(CC2(N)CCCC2)n1.
What is the InChIKey of 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KYNWYGSFLYZNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-13-10(16)9-14-8(17-15-9)7-11(12)5-3-4-6-11/h2-7,12H2,1H3,(H,13,16).
What are the key properties of 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).