oxacillin

(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

CAS: 66-79-5

Molecular Formula	`C19H19N3O5S`
Molecular Weight	401.4 g/mol
LogP	2.4
Topological Polar Surface Area	138.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	401.10455
Heavy Atoms	28
Complexity	680.0

Chemical Identifiers

CAS Number	66-79-5
SMILES	`CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O`
InChIKey	`UWYHMGVUTGAWSP-JKIFEVAISA-N`

📖 Product Overview

oxacillin (CAS: 66-79-5) is a chemical compound with molecular formula C19H19N3O5S and molecular weight 401.4 g/mol. Its IUPAC systematic name is (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. LogP 2.4 Topological Polar Surface Area 138.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 401.10455 Heavy Atoms 28 Complexity 680.0 InChI Key: UWYHMGVUTGAWSP-JKIFEVAISA-N. SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.

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