2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride

C18H24ClN5O2S — CID 120862469

IUPAC2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCC(Sc1ncccc1-c1nc(C2(N)CCC2)no1)C(=O)N1CCCC1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-12(16(24)23-10-2-3-11-23)26-15-13(6-4-9-20-15)14-21-17(22-25-14)18(19)7-5-8-18;/h4,6,9,12H,2-3,5,7-8,10-11,19H2,1H3;1H
InChIKeyWYCIBJSYUXGQQF-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.99
Rot. Bonds5

About 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride

2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride (PubChem CID 120862469) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
PubChem CID120862469
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC Name2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCC(Sc1ncccc1-c1nc(C2(N)CCC2)no1)C(=O)N1CCCC1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-12(16(24)23-10-2-3-11-23)26-15-13(6-4-9-20-15)14-21-17(22-25-14)18(19)7-5-8-18;/h4,6,9,12H,2-3,5,7-8,10-11,19H2,1H3;1H
InChIKeyWYCIBJSYUXGQQF-UHFFFAOYSA-N
XLogP2.99
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride with MolForge

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
N-[(2S)-1-aminopropan-2-yl]-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide;dihydrochloride
CID 120507456
2-[[3-[4-(1-aminoethyl)piperidine-1-carbonyl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119519814
(2S)-2-[[2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carbonyl]amino]propanoic acid
CID 119943356
1-[5-[3-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860849
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2,5-dimethylphenyl)methanone;hydrochloride
CID 120858811
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 120864049
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride
CID 120860575
1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862317
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride (CID 120862469) is 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride is CC(Sc1ncccc1-c1nc(C2(N)CCC2)no1)C(=O)N1CCCC1.Cl.
What is the InChIKey of 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is WYCIBJSYUXGQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.ClH/c1-12(16(24)23-10-2-3-11-23)26-15-13(6-4-9-20-15)14-21-17(22-25-14)18(19)7-5-8-18;/h4,6,9,12H,2-3,5,7-8,10-11,19H2,1H3;1H.
What are the key properties of 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120862469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).