5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride

C14H19ClN4O3S — CID 120862085

IUPAC5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(-c2nc(C3(N)CCC3)no2)cc(S(N)(=O)=O)c1C.Cl
InChIInChI=1S/C14H18N4O3S.ClH/c1-8-6-10(7-11(9(8)2)22(16,19)20)12-17-13(18-21-12)14(15)4-3-5-14;/h6-7H,3-5,15H2,1-2H3,(H2,16,19,20);1H
InChIKeyKJFZDPWMOIFHLV-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.76
Rot. Bonds3

About 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride

5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 120862085) has the molecular formula C14H19ClN4O3S and a molecular weight of 358.85 g/mol. Its IUPAC name is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride
PubChem CID120862085
Molecular FormulaC14H19ClN4O3S
Molecular Weight358.85 g/mol
Exact Mass358.09
IUPAC Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(-c2nc(C3(N)CCC3)no2)cc(S(N)(=O)=O)c1C.Cl
InChIInChI=1S/C14H18N4O3S.ClH/c1-8-6-10(7-11(9(8)2)22(16,19)20)12-17-13(18-21-12)14(15)4-3-5-14;/h6-7H,3-5,15H2,1-2H3,(H2,16,19,20);1H
InChIKeyKJFZDPWMOIFHLV-UHFFFAOYSA-N
XLogP1.76
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(2-bromo-5-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859044
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
1-[5-(3-methylsulfonyl-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852472
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide
CID 120862980
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(5-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860423
1-[5-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862042

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride (CID 120862085) is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride is Cc1cc(-c2nc(C3(N)CCC3)no2)cc(S(N)(=O)=O)c1C.Cl.
What is the InChIKey of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is KJFZDPWMOIFHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S.ClH/c1-8-6-10(7-11(9(8)2)22(16,19)20)12-17-13(18-21-12)14(15)4-3-5-14;/h6-7H,3-5,15H2,1-2H3,(H2,16,19,20);1H.
What are the key properties of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride?
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120862085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).