N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide

C13H15FN4O3S — CID 120862980

IUPACN-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2nc(C3(N)CCC3)no2)ccc1F
InChIInChI=1S/C13H15FN4O3S/c1-22(19,20)18-10-7-8(3-4-9(10)14)11-16-12(17-21-11)13(15)5-2-6-13/h3-4,7,18H,2,5-6,15H2,1H3
InChIKeyJIJRADJBCZAINT-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.59
Rot. Bonds4

About N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide

N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide (PubChem CID 120862980) has the molecular formula C13H15FN4O3S and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide
PubChem CID120862980
Molecular FormulaC13H15FN4O3S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC NameN-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2nc(C3(N)CCC3)no2)ccc1F
InChIInChI=1S/C13H15FN4O3S/c1-22(19,20)18-10-7-8(3-4-9(10)14)11-16-12(17-21-11)13(15)5-2-6-13/h3-4,7,18H,2,5-6,15H2,1H3
InChIKeyJIJRADJBCZAINT-UHFFFAOYSA-N
XLogP1.59
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
CID 120863605
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856441
N-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 120860719
1-[5-[3-(methylsulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860209
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 120863292
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide (CID 120862980) is N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2nc(C3(N)CCC3)no2)ccc1F.
What is the InChIKey of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide?
The InChIKey is JIJRADJBCZAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3S/c1-22(19,20)18-10-7-8(3-4-9(10)14)11-16-12(17-21-11)13(15)5-2-6-13/h3-4,7,18H,2,5-6,15H2,1H3.
What are the key properties of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide?
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide has a molecular weight of 326.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 120862980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).