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

C13H20ClN3O — CID 120861577

IUPAC1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(=C1CCCC1)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-9(10-5-2-3-6-10)11-15-12(16-17-11)13(14)7-4-8-13;/h2-8,14H2,1H3;1H
InChIKeyGVZCTQNUHBBTJP-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.18
Rot. Bonds2

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

1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120861577) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120861577
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(=C1CCCC1)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-9(10-5-2-3-6-10)11-15-12(16-17-11)13(14)7-4-8-13;/h2-8,14H2,1H3;1H
InChIKeyGVZCTQNUHBBTJP-UHFFFAOYSA-N
XLogP3.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(Z)-but-2-en-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854979
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 120862919
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
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337
1-[5-(2-ethylbut-1-enyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861659
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
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-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860019

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120861577) is 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CC(=C1CCCC1)c1nc(C2(N)CCC2)no1.Cl.
What is the InChIKey of 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is GVZCTQNUHBBTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-9(10-5-2-3-6-10)11-15-12(16-17-11)13(14)7-4-8-13;/h2-8,14H2,1H3;1H.
What are the key properties of 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-cyclopentylideneethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120861577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).