Cas no 1247889-30-0 (2-cyclopentyl-1,3-oxazole-4-carboxylic acid)

2-Cyclopentyl-1,3-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a cyclopentyl-substituted oxazole core. This compound is of interest in medicinal chemistry and organic synthesis due to its versatile reactivity, particularly as a building block for the development of pharmacologically active molecules. The oxazole ring provides a rigid scaffold, while the carboxylic acid functionality allows for further derivatization via amidation, esterification, or other coupling reactions. Its cyclopentyl moiety may enhance lipophilicity, influencing bioavailability and target binding. The compound is suitable for applications in drug discovery, agrochemical research, and material science, where tailored heterocyclic frameworks are required.
2-cyclopentyl-1,3-oxazole-4-carboxylic acid structure
1247889-30-0 structure
Product Name:2-cyclopentyl-1,3-oxazole-4-carboxylic acid
CAS No:1247889-30-0
MF:C9H11NO3
MW:181.188542604446
CID:1064833
PubChem ID:62234616
Update Time:2025-06-07

2-cyclopentyl-1,3-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclopentyloxazole-4-carboxylic acid
    • 2-Cyclopentyl-4-oxazolecarboxylic Acid
    • 2-Cyclopentyl-1,3-oxazole-4-carboxylic acid
    • CS-0234297
    • Z969117318
    • EN300-140556
    • SY154740
    • 2-Cyclopentyloxazole-4-carboxylicacid
    • 4-Oxazolecarboxylic acid, 2-cyclopentyl-; 2-Cyclopentyl-4-oxazolecarboxylic acid; 2-Cyclopentyl-1,3-oxazole-4-carboxylic acid
    • MFCD16698580
    • 1247889-30-0
    • AKOS011517211
    • DB-313917
    • 2-cyclopentyl-1,3-oxazole-4-carboxylic acid
    • Inchi: 1S/C9H11NO3/c11-9(12)7-5-13-8(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
    • InChI Key: HMFSEYJFLNQHOM-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)O)N=C1C1CCCC1

Computed Properties

  • Exact Mass: 181.07389321g/mol
  • Monoisotopic Mass: 181.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 201
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 345.9±15.0 °C at 760 mmHg
  • Flash Point: 163.0±20.4 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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