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

C20H21N3O6S — CID 22505474

IUPACN-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2nc(CCC(=O)N(C)O)oc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C20H21N3O6S/c1-23(25)18(24)12-11-17-22-19(13-7-9-14(28-2)10-8-13)20(29-17)15-5-3-4-6-16(15)30(21,26)27/h3-10,25H,11-12H2,1-2H3,(H2,21,26,27)
InChIKeyYNQSDDBNBPOOKV-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.44
Rot. Bonds7

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

N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 22505474) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID22505474
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC NameN-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2nc(CCC(=O)N(C)O)oc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C20H21N3O6S/c1-23(25)18(24)12-11-17-22-19(13-7-9-14(28-2)10-8-13)20(29-17)15-5-3-4-6-16(15)30(21,26)27/h3-10,25H,11-12H2,1-2H3,(H2,21,26,27)
InChIKeyYNQSDDBNBPOOKV-UHFFFAOYSA-N
XLogP2.44
TPSA135.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.44
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
4-[4-(3-fluoro-4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylbutanamide
CID 22505247
2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 87974449
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 67622817
2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207146
3-[4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]propanoic acid
CID 67771808
3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide
CID 22505373
3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide
CID 87973590
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196
3-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methoxy]benzoic acid
CID 67622923
bis(carbamothioic S-acid);methane;2-[3-(4-methoxyphenyl)-5-propylfuran-2-yl]benzenesulfonamide;hydrate
CID 173207187

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 22505474) is N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is COc1ccc(-c2nc(CCC(=O)N(C)O)oc2-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is YNQSDDBNBPOOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-23(25)18(24)12-11-17-22-19(13-7-9-14(28-2)10-8-13)20(29-17)15-5-3-4-6-16(15)30(21,26)27/h3-10,25H,11-12H2,1-2H3,(H2,21,26,27).
What are the key properties of N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 431.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 22505474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).