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

C14H16ClN5O3 — CID 120863123

IUPAC1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3nc(-c4ccoc4)no3)n2)CCC1
InChIInChI=1S/C14H15N5O3.ClH/c15-14(5-1-6-14)13-17-11(22-19-13)3-2-10-16-12(18-21-10)9-4-7-20-8-9;/h4,7-8H,1-3,5-6,15H2;1H
InChIKeyROEBQJSXVGEQTH-UHFFFAOYSA-N
MW337.77 g/mol
LogP2.26
Rot. Bonds5

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

1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120863123) has the molecular formula C14H16ClN5O3 and a molecular weight of 337.77 g/mol. Its IUPAC name is 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120863123
Molecular FormulaC14H16ClN5O3
Molecular Weight337.77 g/mol
Exact Mass337.09
IUPAC Name1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CCc3nc(-c4ccoc4)no3)n2)CCC1
InChIInChI=1S/C14H15N5O3.ClH/c15-14(5-1-6-14)13-17-11(22-19-13)3-2-10-16-12(18-21-10)9-4-7-20-8-9;/h4,7-8H,1-3,5-6,15H2;1H
InChIKeyROEBQJSXVGEQTH-UHFFFAOYSA-N
XLogP2.26
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863124
1-[5-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863346
1-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859819
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862931
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859760
1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860259
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488103
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 124589224

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120863123) is 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(CCc3nc(-c4ccoc4)no3)n2)CCC1.
What is the InChIKey of 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is ROEBQJSXVGEQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3.ClH/c15-14(5-1-6-14)13-17-11(22-19-13)3-2-10-16-12(18-21-10)9-4-7-20-8-9;/h4,7-8H,1-3,5-6,15H2;1H.
What are the key properties of 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 337.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).