[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride

C13H22ClN3O2 — CID 128964535

IUPAC[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2nc(C3CCCCC3)no2)O1
InChIInChI=1S/C13H21N3O2.ClH/c14-8-10-6-7-11(17-10)13-15-12(16-18-13)9-4-2-1-3-5-9;/h9-11H,1-8,14H2;1H
InChIKeyIRWKWMCPJRZEPP-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.72
Rot. Bonds3

About [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride

[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride (PubChem CID 128964535) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
PubChem CID128964535
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2nc(C3CCCCC3)no2)O1
InChIInChI=1S/C13H21N3O2.ClH/c14-8-10-6-7-11(17-10)13-15-12(16-18-13)9-4-2-1-3-5-9;/h9-11H,1-8,14H2;1H
InChIKeyIRWKWMCPJRZEPP-UHFFFAOYSA-N
XLogP2.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
1-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 120974105
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
[5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116741356
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691
[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
CID 165491300
N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 120974109
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
[(2R,5S)-5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine;hydrochloride
CID 120892314
[5-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116704184
[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794

Frequently Asked Questions

What is the IUPAC name of [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride (CID 128964535) is [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride is Cl.NCC1CCC(c2nc(C3CCCCC3)no2)O1.
What is the InChIKey of [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride?
The InChIKey is IRWKWMCPJRZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c14-8-10-6-7-11(17-10)13-15-12(16-18-13)9-4-2-1-3-5-9;/h9-11H,1-8,14H2;1H.
What are the key properties of [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride?
[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 128964535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).