(S)-(-)-5,5-Diphenyl-4-methyl-2-oxazolidinone - ≥97% , CAS No.191090-29-6

CAS: 191090-29-6 Cat. No.: I168216 Molecular Weight: 253.3

GRADE & PURITY ≥97%

Synonyms

191090-29-6|(S)-4-Methyl-5,5-diphenyloxazolidin-2-one|2-Oxazolidinone, 4-methyl-5,5-diphenyl-, (4S)-|(4S)-4-Methyl-5,5-diphenyl-1,3-oxazolidin-2-one|(S)-(-)-5,5-Diphenyl-4-methyl-2-oxazolidinone|(S)-(-)-5 5-DIPHENYL-4-METHYL-2-OXAZOLI|SCHEMBL5872386|DTXSI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

191090-29-6 | (S)-4-Methyl-5, 5-diphenyloxazolidin-2-one | 2-Oxazolidinone, 4-methyl-5, 5-diphenyl-, (4S)- | (4S)-4-Methyl-5, 5-diphenyl-1, 3-oxazolidin-2-one | (S)-(-)-5, 5-Diphenyl-4-methyl-2-oxazolidinone | (S)-(-)-5 5-DIPHENYL-4-METHYL-2-OXAZOLI | SCHEMBL5872386 | DTXSI

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765336
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765336
• Canonical Smiles: CC1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: (4S)-4-methyl-5,5-diphenyl-1,3-oxazolidin-2-one
• InChIKey: URUDVMKJOXKZHR-LBPRGKRZSA-N
• INCHI: 1S/C16H15NO2/c1-12-16(19-15(18)17-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,18)/t12-/m0/s1
• Isomeric SMILES: C[C@H]1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Germany: 3
• Molecular Weight: 253.3
• Reaxy-Rn: 4938700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4938700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Oxazolidinones Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Oxazolidinone - Carbamic acid ester - Oxazolidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 253.290 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 253.11 Da
• Monoisotopic Mass: 253.11 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 312.000
• 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