4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C21H21F2N3O6S — CID 91663384

IUPAC4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2nc(-c3c(F)cccc3F)no2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H21F2N3O6S/c1-21(20(27)25-28,33(2,29)30)11-10-13-6-8-14(9-7-13)31-12-17-24-19(26-32-17)18-15(22)4-3-5-16(18)23/h3-9,28H,10-12H2,1-2H3,(H,25,27)
InChIKeyNXUHPMODLVTUMH-UHFFFAOYSA-N
MW481.48 g/mol
LogP2.84
Rot. Bonds9

About 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663384) has the molecular formula C21H21F2N3O6S and a molecular weight of 481.48 g/mol. Its IUPAC name is 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663384
Molecular FormulaC21H21F2N3O6S
Molecular Weight481.48 g/mol
Exact Mass481.11
IUPAC Name4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2nc(-c3c(F)cccc3F)no2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H21F2N3O6S/c1-21(20(27)25-28,33(2,29)30)11-10-13-6-8-14(9-7-13)31-12-17-24-19(26-32-17)18-15(22)4-3-5-16(18)23/h3-9,28H,10-12H2,1-2H3,(H,25,27)
InChIKeyNXUHPMODLVTUMH-UHFFFAOYSA-N
XLogP2.84
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide 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 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663384) is 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(OCc2nc(-c3c(F)cccc3F)no2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is NXUHPMODLVTUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O6S/c1-21(20(27)25-28,33(2,29)30)11-10-13-6-8-14(9-7-13)31-12-17-24-19(26-32-17)18-15(22)4-3-5-16(18)23/h3-9,28H,10-12H2,1-2H3,(H,25,27).
What are the key properties of 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 481.48 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).