[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine

C12H21N3O3 — CID 102926644

IUPAC[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESCOCCOCCc1noc(C2(CN)CCC2)n1
InChIInChI=1S/C12H21N3O3/c1-16-7-8-17-6-3-10-14-11(18-15-10)12(9-13)4-2-5-12/h2-9,13H2,1H3
InChIKeyUFCPZIRXBOTMFS-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.66
Rot. Bonds8

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

[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (PubChem CID 102926644) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
PubChem CID102926644
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESCOCCOCCc1noc(C2(CN)CCC2)n1
InChIInChI=1S/C12H21N3O3/c1-16-7-8-17-6-3-10-14-11(18-15-10)12(9-13)4-2-5-12/h2-9,13H2,1H3
InChIKeyUFCPZIRXBOTMFS-UHFFFAOYSA-N
XLogP0.66
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 102926483
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 102926823
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
methyl 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 102927035
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743729
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
2-[5-[1-(aminomethyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 115433709
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106814548
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
1-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 102926870
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65094591

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (CID 102926644) is [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is COCCOCCc1noc(C2(CN)CCC2)n1.
What is the InChIKey of [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The InChIKey is UFCPZIRXBOTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-16-7-8-17-6-3-10-14-11(18-15-10)12(9-13)4-2-5-12/h2-9,13H2,1H3.
What are the key properties of [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is sourced from PubChem (CID 102926644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).