Oxacillin
PubChem CID: 6196
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| Compound Synonyms | oxacillin, Oxazocillin, 66-79-5, Oxazocilline, Oxacilina, MPI-penicillin, Oxacilline, Ossacillina, Oxacillinum, Prostaphlyn, Bactocill, Prostaphlin, MPi-PC, OXACILLIN SODIUM, 5-Methyl-3-phenyl-4-isoxazolyl-penicillin, Oxacilina [INN-Spanish], Oxacilline [INN-French], Oxacillinum [INN-Latin], CHEBI:7809, (5-methyl-3-phenyl-4-isoxazolyl)penicillin, EINECS 200-635-5, UNII-UH95VD7V76, Oxacillin (INN), Penicillin, (5-methyl-3-phenyl-4-isoxazolyl)-, UH95VD7V76, (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanic acid, (2S,5R,6R)-3,3-dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, DTXSID8023397, Methylphenylisoxazolyl Penicillin, Ossacillina [DCIT], OXACILLIN [INN], Oxacilina (INN-Spanish), Oxacilline (INN-French), Oxacillinum (INN-Latin), Oxacillin [INN:BAN], OXACILLIN (MART.), OXACILLIN [MART.], 1173-88-2, (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, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-, (2S,5R,6R)-, Penicillin, Methylphenylisoxazolyl, Oxacilina (TN), MPI-penicillin, MPi-PC, oxacillina, Oxacillin,(S), (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((5-methyl-3-phenyl-4-isoxazolyl)carbonyl)amino)-7-oxo-, (2S-(2alpha,5alpha,6beta))-, OXACILLIN [MI], OXACILLIN [VANDF], CHEMBL819, Epitope ID:181859, OXACILLIN [WHO-DD], SCHEMBL3817, DTXCID403397, GTPL10943, HY-B0925A, J01CF04, phenylisoxazole-4-carboxamido)-7-, BDBM50350483, DB00713, 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(5-methyl-3-phenyl-4-isoxazolecarboxamide)-7-oxo-, DA-76502, 5-Methyl-3-phenyl-4-isooxazolylpenicillin, oxo-4-thia-1-azabicyclo[3.2.0]heptane-, CS-0013715, NS00000572, C07334, D08307, (2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-, EN300-19766050, Q418725, BRD-K96786677-236-01-6, BRD-K96786677-236-02-4, BRD-K96786677-323-02-0, 200-635-5, 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-,(2S,5R,6R)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(((5-methyl-3-phenyl-4-isoxazolyl)carbonyl)amino)-7-oxo-, (2S-(2.alpha.,5.alpha.,6.beta.))- |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 680.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT1237, NPT1037 |
| Xlogp | 2.4 |
| Molecular Formula | C19H19N3O5S |
| Prediction Swissadme | 1.0 |
| Inchi Key | UWYHMGVUTGAWSP-JKIFEVAISA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.33 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.34 |
| Compound Name | Oxacillin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 401.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 401.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 401.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.188967085714286 |
| 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 |
| Smiles | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Liquidambar Formosana (Plant) Rel Props:Source_db:cmaup_ingredients