1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C13H22ClN3O2 — CID 120852435

IUPAC1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCC3CCCO3)n2)CCCC1
InChIInChI=1S/C13H21N3O2.ClH/c14-13(7-1-2-8-13)12-15-11(18-16-12)6-5-10-4-3-9-17-10;/h10H,1-9,14H2;1H
InChIKeyUWWIJQBPNRLLEC-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.33
Rot. Bonds4

About 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852435) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120852435
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCC3CCCO3)n2)CCCC1
InChIInChI=1S/C13H21N3O2.ClH/c14-13(7-1-2-8-13)12-15-11(18-16-12)6-5-10-4-3-9-17-10;/h10H,1-9,14H2;1H
InChIKeyUWWIJQBPNRLLEC-UHFFFAOYSA-N
XLogP2.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65159466
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861670
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
CID 112572494
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
CID 102660318
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858876

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852435) is 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(CCC3CCCO3)n2)CCCC1.
What is the InChIKey of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is UWWIJQBPNRLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c14-13(7-1-2-8-13)12-15-11(18-16-12)6-5-10-4-3-9-17-10;/h10H,1-9,14H2;1H.
What are the key properties of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).