4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide

C21H22FN3O6S — CID 22505247

IUPAC4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide
SMILESCOc1ccc(-c2nc(CCCC(=O)N(C)O)oc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C21H22FN3O6S/c1-25(27)19(26)9-5-8-18-24-20(13-10-11-16(30-2)15(22)12-13)21(31-18)14-6-3-4-7-17(14)32(23,28)29/h3-4,6-7,10-12,27H,5,8-9H2,1-2H3,(H2,23,28,29)
InChIKeyGDIUFJMMFYVDBK-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.97
Rot. Bonds8

About 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide

4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide (PubChem CID 22505247) has the molecular formula C21H22FN3O6S and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide
PubChem CID22505247
Molecular FormulaC21H22FN3O6S
Molecular Weight463.49 g/mol
Exact Mass463.12
IUPAC Name4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide
SMILESCOc1ccc(-c2nc(CCCC(=O)N(C)O)oc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C21H22FN3O6S/c1-25(27)19(26)9-5-8-18-24-20(13-10-11-16(30-2)15(22)12-13)21(31-18)14-6-3-4-7-17(14)32(23,28)29/h3-4,6-7,10-12,27H,5,8-9H2,1-2H3,(H2,23,28,29)
InChIKeyGDIUFJMMFYVDBK-UHFFFAOYSA-N
XLogP2.97
TPSA135.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
CID 22505284
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474
2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 87974449
3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide
CID 22505373
4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide
CID 22505630
2-[4-(3-chloro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505117
4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide
CID 22505162
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594963
2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645662
2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701771
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67625035

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide?
The IUPAC name of 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide (CID 22505247) is 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide.
What is the SMILES notation for 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide?
The canonical SMILES for 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide is COc1ccc(-c2nc(CCCC(=O)N(C)O)oc2-c2ccccc2S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide?
The InChIKey is GDIUFJMMFYVDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O6S/c1-25(27)19(26)9-5-8-18-24-20(13-10-11-16(30-2)15(22)12-13)21(31-18)14-6-3-4-7-17(14)32(23,28)29/h3-4,6-7,10-12,27H,5,8-9H2,1-2H3,(H2,23,28,29).
What are the key properties of 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide?
4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide has a molecular weight of 463.49 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide is sourced from PubChem (CID 22505247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).