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

C19H18ClN3O5S — CID 22505162

IUPAC4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(CCCC(=O)NO)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O5S/c20-13-10-8-12(9-11-13)19-18(14-4-1-2-5-15(14)29(21,26)27)22-17(28-19)7-3-6-16(24)23-25/h1-2,4-5,8-11,25H,3,6-7H2,(H,23,24)(H2,21,26,27)
InChIKeyBZKCDGRMEHWLHG-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.14
Rot. Bonds7

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

4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide (PubChem CID 22505162) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide
PubChem CID22505162
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(CCCC(=O)NO)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O5S/c20-13-10-8-12(9-11-13)19-18(14-4-1-2-5-15(14)29(21,26)27)22-17(28-19)7-3-6-16(24)23-25/h1-2,4-5,8-11,25H,3,6-7H2,(H,23,24)(H2,21,26,27)
InChIKeyBZKCDGRMEHWLHG-UHFFFAOYSA-N
XLogP3.14
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.14
H-Bond Donors ≤ 53
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 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide (CID 22505162) is 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide is NS(=O)(=O)c1ccccc1-c1nc(CCCC(=O)NO)oc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide?
The InChIKey is BZKCDGRMEHWLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c20-13-10-8-12(9-11-13)19-18(14-4-1-2-5-15(14)29(21,26)27)22-17(28-19)7-3-6-16(24)23-25/h1-2,4-5,8-11,25H,3,6-7H2,(H,23,24)(H2,21,26,27).
What are the key properties of 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide?
4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide has a molecular weight of 435.89 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxybutanamide is sourced from PubChem (CID 22505162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).