1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C12H20ClN3O — CID 120861659

IUPAC1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCC(=Cc1nc(C2(N)CCC2)no1)CC.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-3-9(4-2)8-10-14-11(15-16-10)12(13)6-5-7-12;/h8H,3-7,13H2,1-2H3;1H
InChIKeyQKOQCDXDTXUBHK-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.03
Rot. Bonds4

About 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120861659) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120861659
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCC(=Cc1nc(C2(N)CCC2)no1)CC.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-3-9(4-2)8-10-14-11(15-16-10)12(13)6-5-7-12;/h8H,3-7,13H2,1-2H3;1H
InChIKeyQKOQCDXDTXUBHK-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863695
1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854979
1-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858594
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860019
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
2-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetamide
CID 120860938
1-[5-[(E)-2-cyclohexylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854562
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861806

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120861659) is 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CCC(=Cc1nc(C2(N)CCC2)no1)CC.Cl.
What is the InChIKey of 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is QKOQCDXDTXUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-3-9(4-2)8-10-14-11(15-16-10)12(13)6-5-7-12;/h8H,3-7,13H2,1-2H3;1H.
What are the key properties of 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120861659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).