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

C13H16N4O3S — CID 120860566

IUPAC[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESNC1(c2noc(-c3ccc(CS(N)(=O)=O)cc3)n2)CCC1
InChIInChI=1S/C13H16N4O3S/c14-13(6-1-7-13)12-16-11(20-17-12)10-4-2-9(3-5-10)8-21(15,18)19/h2-5H,1,6-8,14H2,(H2,15,18,19)
InChIKeyMXNYOMQXUMYMJG-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.86
Rot. Bonds4

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

[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (PubChem CID 120860566) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
PubChem CID120860566
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESNC1(c2noc(-c3ccc(CS(N)(=O)=O)cc3)n2)CCC1
InChIInChI=1S/C13H16N4O3S/c14-13(6-1-7-13)12-16-11(20-17-12)10-4-2-9(3-5-10)8-21(15,18)19/h2-5H,1,6-8,14H2,(H2,15,18,19)
InChIKeyMXNYOMQXUMYMJG-UHFFFAOYSA-N
XLogP0.86
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
1-[5-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863760
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862646
1-[5-[3-(methylsulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860209
1-[5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861740
3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione
CID 120863100
1-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859325
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (CID 120860566) is [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is NC1(c2noc(-c3ccc(CS(N)(=O)=O)cc3)n2)CCC1.
What is the InChIKey of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is MXNYOMQXUMYMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-13(6-1-7-13)12-16-11(20-17-12)10-4-2-9(3-5-10)8-21(15,18)19/h2-5H,1,6-8,14H2,(H2,15,18,19).
What are the key properties of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 120860566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).