1.0 2016-05-25 18:22:28 UTC 2026-08-20 02:39:30 UTC Oxacillin SmallMolecule Oxacillin is an organic compound with the formula C19H19N3O5S and an average molecular weight of 401.44 g/mol. Oxacillin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is identified as a binder, inhibitor, or substrate for nine recorded protein targets, including penicillin-binding protein 1A (pbpA), serine-type D-Ala-D-Ala carboxypeptidase (pbp3), penicillin-binding protein 2a (pbp2a), and penicillin-binding protein 2B (penA), among five other proteins. It is found in or released from 18 recorded sources across various categories. Within healthcare, pharmaceuticals, and veterinary products, it is associated with antibiotics and penicillins. It is also found in drinking water and water supply systems. Other sources include food, food processing, and cookware, specifically in food preservation and the processing of fish and meats. Additionally, it is recorded in electrical and electronic equipment, such as video games, television systems, electrodes, hybrid capacitors, and electrically stimulated smoking devices. Household cleaning and consumer products also serve as sources, including soap detergents, perfumes within detergents and soaps, pipe accessories, other smoking requisites, and non-electric simulated smoking devices. Recorded exposure routes for the compound include oral, intravenous, intramuscular, and inhalation. C19H19N3O5S 401.436 401.104541423 (2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-amido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid oxacillin 66-79-5 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1 UWYHMGVUTGAWSP-JKIFEVAISA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Azacyclic compounds Azetidines Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Isoxazoles Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Penicillins Secondary carboxylic acid amides Tertiary carboxylic acid amides Thiazolidines Thiohemiaminal derivatives Alpha-amino acid or derivatives Alpha-dipeptide Aromatic heteropolycyclic compound Azacycle Azetidine Azole Benzenoid Beta-lactam Carbonyl group Carboxamide group Carboxylic acid Dialkylthioether Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Isoxazole Lactam Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Penam Penicillin Secondary carboxylic acid amide Tertiary carboxylic acid amide Thiazolidine Thioether Aromatic heteropolycyclic compounds penicillin Detected and Not Quantified Oxacillin Drug Metabolism Action Pathway SMP0143157 logp 1.7 logp 2.05 ALOGPS logs -3.67 ALOGPS solubility 8.62e-02 g/l ALOGPS logp 1.7 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -0.12 ChemAxon iupac (2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-amido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 401.436 ChemAxon mono_mass 401.104541423 ChemAxon smiles [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O ChemAxon formula C19H19N3O5S ChemAxon inchi InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1 ChemAxon inchikey UWYHMGVUTGAWSP-JKIFEVAISA-N ChemAxon polar_surface_area 112.74 ChemAxon refractivity 101.83 ChemAxon polarizability 39.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225decda0> DB00713 6196 5961 BE0000576 BE0004643 BE0004644 BE0004290 BE0003624 BE0004335 BE0001018 BE0008389 BE0001134 BE0001755