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

C15H24ClN3O — CID 120854562

IUPAC1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(/C=C/C3CCCCC3)n2)CCCC1
InChIInChI=1S/C15H23N3O.ClH/c16-15(10-4-5-11-15)14-17-13(19-18-14)9-8-12-6-2-1-3-7-12;/h8-9,12H,1-7,10-11,16H2;1H/b9-8+;
InChIKeyQIBFURHMRVTOIH-HRNDJLQDSA-N
MW297.83 g/mol
LogP3.81
Rot. Bonds3

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

1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120854562) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120854562
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(/C=C/C3CCCCC3)n2)CCCC1
InChIInChI=1S/C15H23N3O.ClH/c16-15(10-4-5-11-15)14-17-13(19-18-14)9-8-12-6-2-1-3-7-12;/h8-9,12H,1-7,10-11,16H2;1H/b9-8+;
InChIKeyQIBFURHMRVTOIH-HRNDJLQDSA-N
XLogP3.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290
1-[5-[(E)-2-(1-benzofuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851886
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853913
1-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858594
1-[5-[(E)-2-(5-bromofuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860910
1-[5-[(E)-2-(2-bromophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858673
4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide
CID 120860450

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120854562) is 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(/C=C/C3CCCCC3)n2)CCCC1.
What is the InChIKey of 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is QIBFURHMRVTOIH-HRNDJLQDSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c16-15(10-4-5-11-15)14-17-13(19-18-14)9-8-12-6-2-1-3-7-12;/h8-9,12H,1-7,10-11,16H2;1H/b9-8+;.
What are the key properties of 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120854562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).