Cas no 1060816-04-7 (2-cyclopropyl-1,3-oxazole-4-carboxylic acid)

2-Cyclopropyl-1,3-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a cyclopropyl-substituted oxazole core. This compound is of interest in medicinal chemistry and agrochemical research due to its versatile scaffold, which serves as a key intermediate in the synthesis of biologically active molecules. The cyclopropyl group enhances steric and electronic properties, potentially improving binding affinity and metabolic stability in target applications. Its carboxylic acid functionality allows for further derivatization, enabling the development of amides, esters, and other derivatives. The compound's structural rigidity and synthetic accessibility make it a valuable building block for drug discovery and fine chemical synthesis.
2-cyclopropyl-1,3-oxazole-4-carboxylic acid structure
1060816-04-7 structure
Product Name:2-cyclopropyl-1,3-oxazole-4-carboxylic acid
CAS No:1060816-04-7
MF:C7H7NO3
MW:153.135381937027
MDL:MFCD12026856
CID:1060652
PubChem ID:25219273
Update Time:2025-05-28

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

Names and Identifiers

    • 2-Cyclopropyloxazole-4-carboxylic acid
    • 2-Cyclopropyl-4-oxazolecarboxylic Acid
    • 2-Cyclopropyl-1,3-oxazole-4-carboxylic acid
    • 2-Cyclopropyl-oxazole-4-carboxylic acid
    • 4-Oxazolecarboxylic acid, 2-cyclopropyl-
    • 2-cyclopropyl-1,3-oxazole-4-carboxylic acid(SALTDATA: FREE)
    • 2-cyclopropyl-1,3-oxazole-4-carboxylic acid(SALTDATA
    • 1060816-04-7
    • MFCD12026856
    • CS-0440426
    • SY058465
    • EN300-97481
    • 2-cyclopropyl-1,3-oxazole-4-carboxylic acid, AldrichCPR
    • LS-01581
    • ALBB-004270
    • STK503055
    • AKOS005171270
    • 2-Cyclopropyloxazole-4-carboxylicacid
    • 2-Cyclopropyl-4-oxazolecarboxylic Acid; 4-Oxazolecarboxylic acid, 2-cyclopropyl-; 2-Cyclopropyl-4-oxazolecarboxylic acid; 2-Cyclopropyl-1,3-oxazole-4-carboxylic acid; 2-Cyclopropyloxazole-4-carboxylic acid
    • BDAWHHUYCSZZAG-UHFFFAOYSA-N
    • AB65286
    • SCHEMBL12984738
    • DTXSID00649216
    • A919509
    • 2-cyclopropyl-1,3-oxazole-4-carboxylic acid
    • MDL: MFCD12026856
    • Inchi: 1S/C7H7NO3/c9-7(10)5-3-11-6(8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
    • InChI Key: BDAWHHUYCSZZAG-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)O)N=C1C1CC1

Computed Properties

  • Exact Mass: 153.04300
  • Monoisotopic Mass: 153.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 0.8
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.445±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 326.5±15.0 °C at 760 mmHg
  • Flash Point: 151.3±20.4 °C
  • Solubility: Slightly soluble (2.8 g/l) (25 o C),
  • PSA: 63.33000
  • LogP: 1.25020
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-cyclopropyl-1,3-oxazole-4-carboxylic acid Security Information

2-cyclopropyl-1,3-oxazole-4-carboxylic acid Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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