1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C11H18ClN3O — CID 120854979

IUPAC1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESC/C=C(/C)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-3-8(2)9-13-10(14-15-9)11(12)6-4-5-7-11;/h3H,4-7,12H2,1-2H3;1H/b8-3-;
InChIKeyGYTHHKLMSWTATK-NGRDVXTNSA-N
MW243.74 g/mol
LogP2.64
Rot. Bonds2

About 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120854979) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120854979
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESC/C=C(/C)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-3-8(2)9-13-10(14-15-9)11(12)6-4-5-7-11;/h3H,4-7,12H2,1-2H3;1H/b8-3-;
InChIKeyGYTHHKLMSWTATK-NGRDVXTNSA-N
XLogP2.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861577
5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154744719
1-[5-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863695
1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861659
3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 120862919
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859477

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120854979) is 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is C/C=C(/C)c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is GYTHHKLMSWTATK-NGRDVXTNSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-3-8(2)9-13-10(14-15-9)11(12)6-4-5-7-11;/h3H,4-7,12H2,1-2H3;1H/b8-3-;.
What are the key properties of 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120854979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).