(R)-4-(6-Methoxynaphthalen-2-yl)-4-methyloxazolidin-2-one - ≥95% , CAS No.1225346-70-2

CAS: 1225346-70-2 Cat. No.: R1227890 Molecular Weight: 257.279

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[C@]1(COC(=O)N1)C2=CC3=C(C=C2)C=C(C=C3)OC
• IUPAC Name: (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-oxazolidin-2-one
• InChIKey: QHEWXAKYRGFGRM-HNNXBMFYSA-N
• INCHI: 1S/C15H15NO3/c1-15(9-19-14(17)16-15)12-5-3-11-8-13(18-2)6-4-10(11)7-12/h3-8H,9H2,1-2H3,(H,16,17)/t15-/m0/s1
• Molecular Weight: 257.279

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Oxazolidinones Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Oxazolidinone - Carbamic acid ester - Oxazolidine - Carbonic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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: 257.279 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 257.105 Da
• Monoisotopic Mass: 257.105 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 359.000
• 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