1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C20H22ClN5O3 — CID 120850607

IUPAC1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCCc1noc2nc(-c3ccco3)cc(-c3nc(C4(N)CCCC4)no3)c12.Cl
InChIInChI=1S/C20H21N5O3.ClH/c1-2-6-13-16-12(17-23-19(25-27-17)20(21)8-3-4-9-20)11-14(15-7-5-10-26-15)22-18(16)28-24-13;/h5,7,10-11H,2-4,6,8-9,21H2,1H3;1H
InChIKeyCYSWPEXPLWFOAF-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.64
Rot. Bonds5

About 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120850607) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120850607
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCCc1noc2nc(-c3ccco3)cc(-c3nc(C4(N)CCCC4)no3)c12.Cl
InChIInChI=1S/C20H21N5O3.ClH/c1-2-6-13-16-12(17-23-19(25-27-17)20(21)8-3-4-9-20)11-14(15-7-5-10-26-15)22-18(16)28-24-13;/h5,7,10-11H,2-4,6,8-9,21H2,1H3;1H
InChIKeyCYSWPEXPLWFOAF-UHFFFAOYSA-N
XLogP4.64
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859837
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 120807327
1-[5-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856823
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 102811165
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864500
1-[5-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863234
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856838
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120855673

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120850607) is 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCCc1noc2nc(-c3ccco3)cc(-c3nc(C4(N)CCCC4)no3)c12.Cl.
What is the InChIKey of 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is CYSWPEXPLWFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3.ClH/c1-2-6-13-16-12(17-23-19(25-27-17)20(21)8-3-4-9-20)11-14(15-7-5-10-26-15)22-18(16)28-24-13;/h5,7,10-11H,2-4,6,8-9,21H2,1H3;1H.
What are the key properties of 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 415.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(furan-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120850607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).