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

C18H16ClN3O5S — CID 87974449

IUPAC2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)Cc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)o1
InChIInChI=1S/C18H16ClN3O5S/c1-22(24)16(23)10-15-21-17(11-6-8-12(19)9-7-11)18(27-15)13-4-2-3-5-14(13)28(20,25)26/h2-9,24H,10H2,1H3,(H2,20,25,26)
InChIKeyLRMJRDRPLQZEEF-UHFFFAOYSA-N
MW421.86 g/mol
LogP2.70
Rot. Bonds5

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

2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide (PubChem CID 87974449) has the molecular formula C18H16ClN3O5S and a molecular weight of 421.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
PubChem CID87974449
Molecular FormulaC18H16ClN3O5S
Molecular Weight421.86 g/mol
Exact Mass421.05
IUPAC Name2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)Cc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)o1
InChIInChI=1S/C18H16ClN3O5S/c1-22(24)16(23)10-15-21-17(11-6-8-12(19)9-7-11)18(27-15)13-4-2-3-5-14(13)28(20,25)26/h2-9,24H,10H2,1H3,(H2,20,25,26)
InChIKeyLRMJRDRPLQZEEF-UHFFFAOYSA-N
XLogP2.70
TPSA126.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 52.70
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 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide (CID 87974449) is 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide is CN(O)C(=O)Cc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2S(N)(=O)=O)o1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide?
The InChIKey is LRMJRDRPLQZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5S/c1-22(24)16(23)10-15-21-17(11-6-8-12(19)9-7-11)18(27-15)13-4-2-3-5-14(13)28(20,25)26/h2-9,24H,10H2,1H3,(H2,20,25,26).
What are the key properties of 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide?
2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide has a molecular weight of 421.86 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide is sourced from PubChem (CID 87974449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).