[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine

C11H19N3O2 — CID 81161030

IUPAC[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESCCOCc1noc(CC2(CN)CCC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-15-7-9-13-10(16-14-9)6-11(8-12)4-3-5-11/h2-8,12H2,1H3
InChIKeyHUJPSYCCNCBARL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.28
Rot. Bonds6

About [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine

[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (PubChem CID 81161030) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
PubChem CID81161030
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESCCOCc1noc(CC2(CN)CCC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-15-7-9-13-10(16-14-9)6-11(8-12)4-3-5-11/h2-8,12H2,1H3
InChIKeyHUJPSYCCNCBARL-UHFFFAOYSA-N
XLogP1.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275
ethyl 5-[[1-(aminomethyl)cyclobutyl]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631523
[1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162265
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
CID 81161290
5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806335
[1-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120893497
2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120841840
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
CID 65417050
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 116740484
methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842271
[1-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120840012

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (CID 81161030) is [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is CCOCc1noc(CC2(CN)CCC2)n1.
What is the InChIKey of [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The InChIKey is HUJPSYCCNCBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-15-7-9-13-10(16-14-9)6-11(8-12)4-3-5-11/h2-8,12H2,1H3.
What are the key properties of [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81161030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).