(R)-(3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl methanesulfonate - ≥97% , CAS No.174649-09-3

CAS: 174649-09-3 Cat. No.: R587672 Molecular Weight: 374.39 PubChem CID: 10643120

GRADE & PURITY ≥97%

Synonyms

2-Oxazolidinone, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-, (5R) | 2-Oxazolidinone, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-, (5R)- | UNII-D02QUU2JKY | {(5R)-3-[3-Fluoro-4-(morpholin-4-yl)phenyl]-2-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

2-Oxazolidinone, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-, (5R) | 2-Oxazolidinone, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-, (5R)- | UNII-D02QUU2JKY | {(5R)-3-[3-Fluoro-4-(morpholin-4-yl)phenyl]-2-

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
• IUPAC Name: [(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
• InChIKey: UCVIKCGVGWBTTI-GFCCVEGCSA-N
• INCHI: 1S/C15H19FN2O6S/c1-25(20,21)23-10-12-9-18(15(19)24-12)11-2-3-14(13(16)8-11)17-4-6-22-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m1/s1
• Isomeric SMILES: CS(=O)(=O)OC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
• PubChem CID: 10643120
• Molecular Weight: 374.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Aniline and substituted anilines Dialkylarylamines Fluorobenzenes Sulfonic acid esters Oxazolidinones Organosulfonic acid esters Aryl fluorides Sulfonyls Methanesulfonates Carbamate esters Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonic acid ester - Oxazolidinone - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Oxazolidine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 374.400 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 374.095 Da
• Monoisotopic Mass: 374.095 Da
• Topological Polar Surface Area: 93.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 577.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1