Isoxazoles

Description:

Heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.

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  1. 5-(5-Methyl-2-furyl)isoxazole-3-carboxylic Acid
    CAS: 951626-47-4 Formula: C9H7NO4 Molecular Weight: 193.16
    Out of Stock Item #: I768625
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    Technical Identifiers
    SMILES
    CC1=CC=C(O1)C2=CC(=NO2)C(=O)O
    InChIKey
    BUGNLEZOYXVUNH-UHFFFAOYSA-N
    InChI
    1S/C9H7NO4/c1-5-2-3-7(13-5)8-4-6(9(11)12)10-14-8/h2-4H,1H3,(H,11,12)
  2. Methyl 2-(3-methylisoxazol-5-yl)acetate
    CAS: 27349-40-2 PubChem CID: 12366875
    Out of Stock Item #: M770000
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    Technical Identifiers
    IUPAC Name
    methyl 2-(3-methyl-1,2-oxazol-5-yl)acetate
    SMILES
    CC1=NOC(=C1)CC(=O)OC
    InChIKey
    YGCLJRXHTPUDFG-UHFFFAOYSA-N
    InChI
    1S/C7H9NO3/c1-5-3-6(11-8-5)4-7(9)10-2/h3H,4H2,1-2H3
  3. 5-Cyclopropylisoxazole-3-carboxylic acid
    CAS: 110256-15-0 PubChem CID: 1092113 Formula: C7H7NO3 Molecular Weight: 153.14
    Solid ≥95%
    In Stock Item #: C770058
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    Technical Identifiers
    IUPAC Name
    5-cyclopropyl-1,2-oxazole-3-carboxylic acid
    SMILES
    C1CC1C2=CC(=NO2)C(=O)O
    InChIKey
    OWMVXHFZCCPOTD-UHFFFAOYSA-N
    InChI
    1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
  4. 5-Ethylisoxazole-3-carboxylic acid
    CAS: 52320-59-9 PubChem CID: 6483811 Formula: C6H7NO3 Molecular Weight: 141.13
    Solid ≥95%
    In Stock Item #: E709901
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    Technical Identifiers
    IUPAC Name
    5-ethyl-1,2-oxazole-3-carboxylic acid
    SMILES
    CCC1=CC(=NO1)C(=O)O
    InChIKey
    TULZZUANLRGWPM-UHFFFAOYSA-N
    InChI
    1S/C6H7NO3/c1-2-4-3-5(6(8)9)7-10-4/h3H,2H2,1H3,(H,8,9)
  5. 3,5-Dimethylisoxazole-4-carbonitrile
    CAS: 31301-46-9 PubChem CID: 2776140 Formula: C6H6N2O Molecular Weight: 122.12
    Out of Stock Item #: D736054
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    Technical Identifiers
    IUPAC Name
    3,5-dimethyl-1,2-oxazole-4-carbonitrile
    SMILES
    CC1=C(C(=NO1)C)C#N
    InChIKey
    NBLIVFMKDQOTHN-UHFFFAOYSA-N
    InChI
    1S/C6H6N2O/c1-4-6(3-7)5(2)9-8-4/h1-2H3
  6. 2-(5-Methylisoxazol-3-yl)acetonitrile
    CAS: 35166-41-7 PubChem CID: 11217252 Formula: C6H6N2O Molecular Weight: 122.12
    Out of Stock Item #: A725708
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    Technical Identifiers
    IUPAC Name
    2-(5-methyl-1,2-oxazol-3-yl)acetonitrile
    SMILES
    CC1=CC(=NO1)CC#N
    InChIKey
    FMCBKOOPDBRCGZ-UHFFFAOYSA-N
    InChI
    1S/C6H6N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2H2,1H3
  7. (5-Methylisoxazol-4-yl)methanol
    CAS: 100367-49-5 PubChem CID: 54126628 Formula: C5H7NO2 Molecular Weight: 113.11
    Out of Stock Item #: M733791
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    Technical Identifiers
    IUPAC Name
    (5-methyl-1,2-oxazol-4-yl)methanol
    SMILES
    CC1=C(C=NO1)CO
    InChIKey
    NRKINZVWZUPBPP-UHFFFAOYSA-N
    InChI
    1S/C5H7NO2/c1-4-5(3-7)2-6-8-4/h2,7H,3H2,1H3
  8. Isoxazole-5-carbonitrile
    CAS: 68776-59-0 EC Number: 864-460-1 PubChem CID: 11228764 Formula: C4H2N2O
    Liquid ≥95%
    Out of Stock Item #: I725729
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    Technical Identifiers
    IUPAC Name
    1,2-oxazole-5-carbonitrile
    SMILES
    C1=C(ON=C1)C#N
    InChIKey
    MCCCJBNRMFLROD-UHFFFAOYSA-N
    InChI
    1S/C4H2N2O/c5-3-4-1-2-6-7-4/h1-2H
    Synonyms
    5-cyanoisoxazole
  9. Isoxazol-4-yl methanol
    CAS: 102790-36-3 EC Number: 841-710-8 Formula: C4H5NO2 Molecular Weight: 99.09
    Liquid ≥97%
    Out of Stock Item #: I727184
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    Technical Identifiers
    IUPAC Name
    1,2-oxazol-4-ylmethanol
    SMILES
    C1=C(C=NO1)CO
    InChIKey
    YUXAURUEOIQGKA-UHFFFAOYSA-N
    InChI
    1S/C4H5NO2/c6-2-4-1-5-7-3-4/h1,3,6H,2H2
    Synonyms
    4-Hydroxymethyl-Isoxazole | 4-Isoxazolemethanol | Isoxazole-4-methanol
  10. Isoxazole-4-carbonitrile
    CAS: 68776-58-9 PubChem CID: 15590756 Formula: C4H2N2O Molecular Weight: 94.07
    Out of Stock Item #: I731205
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    Technical Identifiers
    IUPAC Name
    1,2-oxazole-4-carbonitrile
    SMILES
    C1=C(C=NO1)C#N
    InChIKey
    ONJYXAHBSGPICV-UHFFFAOYSA-N
    InChI
    1S/C4H2N2O/c5-1-4-2-6-7-3-4/h2-3H
  11. Ethyl 5-isopropylisoxazole-3-carboxylate
    CAS: 91240-30-1 PubChem CID: 18361884
    Out of Stock Item #: E735840
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    Technical Identifiers
    IUPAC Name
    ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate
    SMILES
    CCOC(=O)C1=NOC(=C1)C(C)C
    InChIKey
    PVQVIEIJKPRYEI-UHFFFAOYSA-N
    InChI
    1S/C9H13NO3/c1-4-12-9(11)7-5-8(6(2)3)13-10-7/h5-6H,4H2,1-3H3
  12. Ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
    CAS: 133827-50-6 EC Number: 829-454-5 PubChem CID: 289544
    Out of Stock Item #: E735198
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    Technical Identifiers
    IUPAC Name
    ethyl 3-methyl-5-oxo-2H-1,2-oxazole-4-carboxylate
    SMILES
    CCOC(=O)C1=C(NOC1=O)C
    InChIKey
    QLNYORXNSOZGSD-UHFFFAOYSA-N
    InChI
    1S/C7H9NO4/c1-3-11-6(9)5-4(2)8-12-7(5)10/h8H,3H2,1-2H3
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