N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide

C20H21N3O5S — CID 22505284

IUPACN-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
SMILESCN(O)C(=O)CCCc1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1
InChIInChI=1S/C20H21N3O5S/c1-23(25)18(24)13-7-12-17-22-19(14-8-3-2-4-9-14)20(28-17)15-10-5-6-11-16(15)29(21,26)27/h2-6,8-11,25H,7,12-13H2,1H3,(H2,21,26,27)
InChIKeyNATDFGQWUNXFFB-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.83
Rot. Bonds7

About N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide

N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide (PubChem CID 22505284) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
PubChem CID22505284
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
SMILESCN(O)C(=O)CCCc1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1
InChIInChI=1S/C20H21N3O5S/c1-23(25)18(24)13-7-12-17-22-19(14-8-3-2-4-9-14)20(28-17)15-10-5-6-11-16(15)29(21,26)27/h2-6,8-11,25H,7,12-13H2,1H3,(H2,21,26,27)
InChIKeyNATDFGQWUNXFFB-UHFFFAOYSA-N
XLogP2.83
TPSA126.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide?
The IUPAC name of N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide (CID 22505284) is N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide.
What is the SMILES notation for N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide?
The canonical SMILES for N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide is CN(O)C(=O)CCCc1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1.
What is the InChIKey of N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide?
The InChIKey is NATDFGQWUNXFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-23(25)18(24)13-7-12-17-22-19(14-8-3-2-4-9-14)20(28-17)15-10-5-6-11-16(15)29(21,26)27/h2-6,8-11,25H,7,12-13H2,1H3,(H2,21,26,27).
What are the key properties of N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide?
N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide has a molecular weight of 415.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide is sourced from PubChem (CID 22505284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).