5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide

C12H16N4O4S — CID 120858944

IUPAC5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)o1
InChIInChI=1S/C12H16N4O4S/c1-16(2)21(17,18)9-5-4-8(19-9)10-14-11(15-20-10)12(13)6-3-7-12/h4-5H,3,6-7,13H2,1-2H3
InChIKeyUZOMVYQGJWWMRV-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.92
Rot. Bonds4

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

5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 120858944) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID120858944
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)o1
InChIInChI=1S/C12H16N4O4S/c1-16(2)21(17,18)9-5-4-8(19-9)10-14-11(15-20-10)12(13)6-3-7-12/h4-5H,3,6-7,13H2,1-2H3
InChIKeyUZOMVYQGJWWMRV-UHFFFAOYSA-N
XLogP0.92
TPSA115.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide (CID 120858944) is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)o1.
What is the InChIKey of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is UZOMVYQGJWWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-16(2)21(17,18)9-5-4-8(19-9)10-14-11(15-20-10)12(13)6-3-7-12/h4-5H,3,6-7,13H2,1-2H3.
What are the key properties of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide?
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 120858944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).