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

C13H20ClN5O — CID 120859773

IUPAC1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1cc(C)n(C(C)c2nc(C3(N)CCC3)no2)n1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-8-7-9(2)18(16-8)10(3)11-15-12(17-19-11)13(14)5-4-6-13;/h7,10H,4-6,14H2,1-3H3;1H
InChIKeyUDVAPGGPIWSKHC-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.25
Rot. Bonds3

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

1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120859773) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120859773
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1cc(C)n(C(C)c2nc(C3(N)CCC3)no2)n1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-8-7-9(2)18(16-8)10(3)11-15-12(17-19-11)13(14)5-4-6-13;/h7,10H,4-6,14H2,1-3H3;1H
InChIKeyUDVAPGGPIWSKHC-UHFFFAOYSA-N
XLogP2.25
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859136
3-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120857219
5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129380278
1-[5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862364
1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864326
1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863041
1-[5-[1-(2-chloro-5-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862814
1-[5-[(1S)-1-(dimethylamino)-2-methylpropyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857536
1-[5-[1-(2,5-dichlorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858803
1-[5-(1-cycloheptyloxyethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859247
1-[5-(1-cyclohexylpropan-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861523
1-[5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854020

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120859773) is 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1cc(C)n(C(C)c2nc(C3(N)CCC3)no2)n1.Cl.
What is the InChIKey of 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is UDVAPGGPIWSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.ClH/c1-8-7-9(2)18(16-8)10(3)11-15-12(17-19-11)13(14)5-4-6-13;/h7,10H,4-6,14H2,1-3H3;1H.
What are the key properties of 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120859773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).