[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine

C13H21N3O — CID 113312330

IUPAC[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESCCC1CCC(c2noc(C3(CN)CC3)n2)C1
InChIInChI=1S/C13H21N3O/c1-2-9-3-4-10(7-9)11-15-12(17-16-11)13(8-14)5-6-13/h9-10H,2-8,14H2,1H3
InChIKeyMSYKQACICDLJLD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds4

About [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine

[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (PubChem CID 113312330) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
PubChem CID113312330
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESCCC1CCC(c2noc(C3(CN)CC3)n2)C1
InChIInChI=1S/C13H21N3O/c1-2-9-3-4-10(7-9)11-15-12(17-16-11)13(8-14)5-6-13/h9-10H,2-8,14H2,1H3
InChIKeyMSYKQACICDLJLD-UHFFFAOYSA-N
XLogP2.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83213717
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
1-amino-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66000793
5-ethenyl-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413474
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65393679
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65414302
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (CID 113312330) is [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is CCC1CCC(c2noc(C3(CN)CC3)n2)C1.
What is the InChIKey of [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The InChIKey is MSYKQACICDLJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-9-3-4-10(7-9)11-15-12(17-16-11)13(8-14)5-6-13/h9-10H,2-8,14H2,1H3.
What are the key properties of [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is sourced from PubChem (CID 113312330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).