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

C12H21N3O — CID 81161290

IUPAC[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCC(C)(C)c1noc(CC2(CN)CCC2)n1
InChIInChI=1S/C12H21N3O/c1-11(2,3)10-14-9(16-15-10)7-12(8-13)5-4-6-12/h4-8,13H2,1-3H3
InChIKeyWGQHTIPPVSWSEU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds3

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

[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine (PubChem CID 81161290) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
PubChem CID81161290
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCC(C)(C)c1noc(CC2(CN)CCC2)n1
InChIInChI=1S/C12H21N3O/c1-11(2,3)10-14-9(16-15-10)7-12(8-13)5-4-6-12/h4-8,13H2,1-3H3
InChIKeyWGQHTIPPVSWSEU-UHFFFAOYSA-N
XLogP2.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164398
[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 116740484
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 46736960
[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
CID 65417050
[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161030
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
ethyl 5-[[1-(aminomethyl)cyclobutyl]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631523
5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806335
[1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162265
[1-[[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 115385189
[1-[[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 115385389

Frequently Asked Questions

What is the IUPAC name of [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine (CID 81161290) is [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine is CC(C)(C)c1noc(CC2(CN)CCC2)n1.
What is the InChIKey of [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine?
The InChIKey is WGQHTIPPVSWSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,3)10-14-9(16-15-10)7-12(8-13)5-4-6-12/h4-8,13H2,1-3H3.
What are the key properties of [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine?
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81161290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).