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

C23H17N5O7S — CID 134145685

IUPAC5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H17N5O7S/c24-36(33,34)18-12-8-16(9-13-18)25-22(30)19-20(14-4-2-1-3-5-14)27-35-23(19)26-21(29)15-6-10-17(11-7-15)28(31)32/h1-13H,(H,25,30)(H,26,29)(H2,24,33,34)
InChIKeyOSURFULXBOMDNB-UHFFFAOYSA-N
MW507.48 g/mol
LogP3.40
Rot. Bonds7

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

5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 134145685) has the molecular formula C23H17N5O7S and a molecular weight of 507.48 g/mol. Its IUPAC name is 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID134145685
Molecular FormulaC23H17N5O7S
Molecular Weight507.48 g/mol
Exact Mass507.08
IUPAC Name5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H17N5O7S/c24-36(33,34)18-12-8-16(9-13-18)25-22(30)19-20(14-4-2-1-3-5-14)27-35-23(19)26-21(29)15-6-10-17(11-7-15)28(31)32/h1-13H,(H,25,30)(H,26,29)(H2,24,33,34)
InChIKeyOSURFULXBOMDNB-UHFFFAOYSA-N
XLogP3.40
TPSA187.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.48
LogP ≤ 53.40
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'}

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Related Compounds

3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134154346
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
CID 5091426
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (CID 134145685) is 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is OSURFULXBOMDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O7S/c24-36(33,34)18-12-8-16(9-13-18)25-22(30)19-20(14-4-2-1-3-5-14)27-35-23(19)26-21(29)15-6-10-17(11-7-15)28(31)32/h1-13H,(H,25,30)(H,26,29)(H2,24,33,34).
What are the key properties of 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 507.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrobenzoyl)amino]-3-phenyl-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134145685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).