Cas no 3405-77-4 (5-methyl-1,2-oxazole-3-carboxylic acid)

5-Methyl-1,2-oxazole-3-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a methyl-substituted oxazole core. This compound is of interest in synthetic organic chemistry due to its functionalized oxazole ring, which serves as a versatile building block for pharmaceuticals, agrochemicals, and specialty materials. The carboxylic acid moiety allows for further derivatization through amidation, esterification, or other coupling reactions, while the oxazole scaffold contributes to its potential bioactivity. Its structural rigidity and polarity make it suitable for applications in drug discovery and molecular design. The compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for research use.
5-methyl-1,2-oxazole-3-carboxylic acid structure
3405-77-4 structure
Product Name:5-methyl-1,2-oxazole-3-carboxylic acid
CAS No:3405-77-4
MF:C5H5NO3
MW:127.098101377487
MDL:MFCD01318162
CID:44118
PubChem ID:76947
Update Time:2025-06-07

5-methyl-1,2-oxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methylisoxazole-3-carboxylic acid
    • 5-methyl-1,2-oxazole-3-carboxylic acid
    • 3-Carboxy-5-methylisoxazole
    • 3-Carboxy-5-methylisoxazole 5-Methyl-3-isoxazolecarboxylic acid
    • 5-methyl-3-isoxazole carboxylic acid
    • 5-methyl-isoxazole-3-carboxylic acid
    • Isoxazole Acid
    • 5-Methyl-3-isoxazolecarboxylic acid
    • 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-
    • YZP807C30G
    • 3-Isoxazolecarboxylicacid, 5-methyl-
    • 5-methylisoxazole-3-carboxylicacid
    • PubChem15552
    • KSC224C5P
    • ARONIS24549
    • 5-methylisoxazol-3-carbonsaure
    • AMOT0306
    • 5-methylisoxazole carboxylic acid
    • DT
    • AM20090521
    • A6015
    • CS-W007575
    • SY010127
    • EN300-16526
    • MFCD01318162
    • AKOS000263471
    • STR04361
    • FT-0620625
    • Q27449789
    • AC-22739
    • J-019440
    • NS00048107
    • 5-METHYLISOXASOLE-3-CARBOXYLIC ACID
    • DTXSID10878772
    • BNMPIJWVMVNSRD-UHFFFAOYSA-N
    • 5-Methylisoxazole-3-carboxylic-d4 Acid
    • M2405
    • UNII-YZP807C30G
    • SCHEMBL286771
    • EINECS 225-454-9
    • 5-methyl-isoxazole-carboxylic acid
    • 3405-77-4
    • J-517816
    • F1984-0188
    • EINECS 222-289-4
    • AS-5028
    • 1267623-84-6
    • BB 0237313
    • HMS1754B06
    • 5-methyl-3-isoxazolecarboxlic acid
    • CCG-321645
    • ALBB-000121
    • DB-013170
    • STK260850
    • BBL015822
    • 3-Carboxy-5-methylisoxazole; 5-Methyl-1,2-oxazole-3-carboxylic Acid; 5-Methyl-3-isoxazolecarboxylic Acid
    • 5-Methyl-3-isooxazolecarboxylic acid
    • MDL： MFCD01318162
    • Inchi： 1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
    • InChI Key： BNMPIJWVMVNSRD-UHFFFAOYSA-N
    • SMILES： O1C(C)=CC(C(=O)O)=N1
    • BRN： 114094

Computed Properties

  • Exact Mass: 127.02700
  • Monoisotopic Mass: 127.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 125
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.7
  • Topological Polar Surface Area: 63.3

Experimental Properties

  • Color/Form: White or cream powder
  • Density: 1.3480
  • Melting Point: 106-110?°C (lit.)
  • Boiling Point: 312.5°C at 760 mmHg
  • Flash Point: 312.5 °C at 760 mmHg
  • Refractive Index: 1.514
  • PSA: 63.33000
  • LogP: 0.68120
  • Solubility: Not determined

5-methyl-1,2-oxazole-3-carboxylic acid Security Information

5-methyl-1,2-oxazole-3-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%

5-methyl-1,2-oxazole-3-carboxylic acid Pricemore >>

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TRC
M314950-1g
5-Methylisoxazole-3-carboxylic Acid
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 $ 58.00 2023-09-07
TRC
M314950-5g
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 $ 63.00 2023-09-07
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M314950-25g
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 $ 184.00 2023-09-07
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M314950-100g
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