3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

C23H16FN5O7S — CID 134154346

IUPAC3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35)
InChIKeyGGOKNRSYWRKUND-UHFFFAOYSA-N
MW525.47 g/mol
LogP3.54
Rot. Bonds7

About 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 134154346) has the molecular formula C23H16FN5O7S and a molecular weight of 525.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID134154346
Molecular FormulaC23H16FN5O7S
Molecular Weight525.47 g/mol
Exact Mass525.08
IUPAC Name3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35)
InChIKeyGGOKNRSYWRKUND-UHFFFAOYSA-N
XLogP3.54
TPSA187.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.47
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134145685
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
CID 39094592
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
4-nitro-N-(4-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 60674861
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055
2-acetamido-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 10022521
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (CID 134154346) is 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is GGOKNRSYWRKUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35).
What are the key properties of 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 525.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134154346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).