1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C16H17ClN4O2 — CID 120859837

IUPAC1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1nc(-c2ccco2)ccc1-c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C16H16N4O2.ClH/c1-10-11(5-6-12(18-10)13-4-2-9-21-13)14-19-15(20-22-14)16(17)7-3-8-16;/h2,4-6,9H,3,7-8,17H2,1H3;1H
InChIKeyDQGAISDQMIMDDX-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.46
Rot. Bonds3

About 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120859837) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120859837
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1nc(-c2ccco2)ccc1-c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C16H16N4O2.ClH/c1-10-11(5-6-12(18-10)13-4-2-9-21-13)14-19-15(20-22-14)16(17)7-3-8-16;/h2,4-6,9H,3,7-8,17H2,1H3;1H
InChIKeyDQGAISDQMIMDDX-UHFFFAOYSA-N
XLogP3.46
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850455
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
1-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861719
1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862317
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-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
1-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120859837) is 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1nc(-c2ccco2)ccc1-c1nc(C2(N)CCC2)no1.Cl.
What is the InChIKey of 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is DQGAISDQMIMDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2.ClH/c1-10-11(5-6-12(18-10)13-4-2-9-21-13)14-19-15(20-22-14)16(17)7-3-8-16;/h2,4-6,9H,3,7-8,17H2,1H3;1H.
What are the key properties of 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 332.79 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120859837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).