(4S,5R)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone - CAS 143654-01-7
Catalog: |
BB009641 |
Product Name: |
(4S,5R)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone |
CAS: |
143654-01-7 |
Synonyms: |
(4S,5R)-4-methyl-3-(1-oxopropyl)-5-phenyl-2-oxazolidinone; (4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one |
IUPAC Name: | (4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one |
Description: | (4S,5R)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone (CAS# 143654-01-7) is used as a reactant in the synthesis of the antitumor macrolide, rhizoxin D. |
Molecular Weight: | 233.26 |
Molecular Formula: | C13H15NO3 |
Canonical SMILES: | CCC(=O)N1C(C(OC1=O)C2=CC=CC=C2)C |
InChI: | InChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m0/s1 |
InChI Key: | ZMRFZBKROHCLIL-CABZTGNLSA-N |
LogP: | 2.44290 |
Publication Number | Title | Priority Date |
US-2004214232-A1 | Generation of skeletal diversity within a combinatorial library | 20020816 |
US-6344457-B1 | Amino acid derivatives inhibiting extracellular matrix metalloproteinase and TNF alpha release | 19970422 |
CA-2129455-C | Orally active azole derivatives | 19930315 |
EP-0617031-A1 | Orally active azole derivates | 19930315 |
EP-0617031-B1 | Orally active azole derivates | 19930315 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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