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2,4-disubstituted oxazoles
Description:
Compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
Ancestors:
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2-Isopropyloxazole-4-carboxylic acidFormula: C7H9NO3 Molecular Weight: 155.15IUPAC Name: 2-propan-2-yl-1,3-oxazole-4-carboxylic acidSMILES: CC(C)C1=NC(=CO1)C(=O)OInChIKey: RNFLNLHKYIYMNK-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h3-4H,1-2H3,(H,9,10) -
2-Ethyloxazole-4-carboxylic acidCas Number: 75395-42-5 Compound CID: 21284955Formula: C6H7NO3 Molecular Weight: 141.13IUPAC Name: 2-ethyl-1,3-oxazole-4-carboxylic acidSMILES: CCC1=NC(=CO1)C(=O)OInChIKey: OFMZDYDHETWLMA-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO3/c1-2-5-7-4(3-10-5)6(8)9/h3H,2H2,1H3,(H,8,9)
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2-Chlorooxazole-4-carboxylic acidFormula: C4H2ClNO3 Molecular Weight: 147.51IUPAC Name: 2-chloro-1,3-oxazole-4-carboxylic acidSMILES: C1=C(N=C(O1)Cl)C(=O)OInChIKey: AFZJELJKFJSQGN-UHFFFAOYSA-NInChI: InChI=1S/C4H2ClNO3/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
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Ethyl 2-(4-piperidino)-1，3-oxazole-4-carboxylateCas Number: 672310-05-3 Compound CID: 40429419Formula: C11H16N2O3 Molecular Weight: 224.26IUPAC Name: ethyl 2-piperidin-4-yl-1,3-oxazole-4-carboxylateSMILES: CCOC(=O)C1=COC(=N1)C2CCNCC2InChIKey: XIHXVYGYBIEGFM-UHFFFAOYSA-NInChI: InChI=1S/C11H16N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
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(2-Bromooxazol-4-yl)methanolCas Number: 1092351-92-2 Compound CID: 37818706IUPAC Name: (2-bromo-1,3-oxazol-4-yl)methanolSMILES: C1=C(N=C(O1)Br)COInChIKey: WHNKRZSMRQKJLO-UHFFFAOYSA-NInChI: InChI=1S/C4H4BrNO2/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
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(2-CHLOROOXAZOL-4-YL)METHANOLCas Number: 706789-06-2 Compound CID: 11378512Formula: C4H4ClNO2 Molecular Weight: 133.53IUPAC Name: (2-chloro-1,3-oxazol-4-yl)methanolSMILES: C1=C(N=C(O1)Cl)COInChIKey: HMMQMGKNKSNKCV-UHFFFAOYSA-NInChI: InChI=1S/C4H4ClNO2/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
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2-BroMooxazole-4-carbaldehydeCas Number: 1092351-90-0 Compound CID: 37818702Formula: C4H2BrNO2 Molecular Weight: 175.97IUPAC Name: 2-bromo-1,3-oxazole-4-carbaldehydeSMILES: C1=C(N=C(O1)Br)C=OInChIKey: QMVGIXDRBNCEPM-UHFFFAOYSA-NInChI: InChI=1S/C4H2BrNO2/c5-4-6-3(1-7)2-8-4/h1-2H
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(2-Methyloxazol-4-yl)methanamineCas Number: 1065073-45-1 Compound CID: 44119606Formula: C5H8N2O Molecular Weight: 112.13IUPAC Name: (2-methyl-1,3-oxazol-4-yl)methanamineSMILES: CC1=NC(=CO1)CNInChIKey: ZFKWYIYSYDLCCG-UHFFFAOYSA-NInChI: InChI=1S/C5H8N2O/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
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Methyl 2-(chloromethyl)oxazole-4-carboxylateCas Number: 208465-72-9 Compound CID: 2763199Formula: C6H6ClNO3 Molecular Weight: 175.57IUPAC Name: methyl 2-(chloromethyl)-1,3-oxazole-4-carboxylateSMILES: COC(=O)C1=COC(=N1)CClInChIKey: CMUKPCIZFMTLKD-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClNO3/c1-10-6(9)4-3-11-5(2-7)8-4/h3H,2H2,1H3
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2-iodo-4-methyl-oxazoleCas Number: 1539210-11-1 Compound CID: 57682489Formula: C4H4INO Molecular Weight: 208.99SMILES: CC1=COC(=N1)IInChIKey: XPNRKYOOXJFVCZ-UHFFFAOYSA-NInChI: InChI=1S/C4H4INO/c1-3-2-7-4(5)6-3/h2H,1H3
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2-bromo-4-methyl-oxazoleCas Number: 1060816-11-6 Compound CID: 46912010Formula: C4H4BrNO Molecular Weight: 161.99IUPAC Name: 2-bromo-4-methyl-1,3-oxazoleSMILES: CC1=COC(=N1)BrInChIKey: YCGXOBCNNSFZBC-UHFFFAOYSA-NInChI: InChI=1S/C4H4BrNO/c1-3-2-7-4(5)6-3/h2H,1H3
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2-(propan-2-yl)-1,3-oxazole-4-carboxylic acidFormula: C7H9NO3 Molecular Weight: 155.15IUPAC Name: 2-propan-2-yl-1,3-oxazole-4-carboxylic acidSMILES: CC(C)C1=NC(=CO1)C(=O)OInChIKey: RNFLNLHKYIYMNK-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h3-4H,1-2H3,(H,9,10)
