LTF
(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
Created: | 2013-01-29 |
Last modified: | 2013-10-30 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 42 |
Chiral Atom Count | 1 |
Bond Count | 43 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide |
Systematic Name (OpenEye OEToolkits) | (4R)-2-(3,4-dimethoxy-5-propyl-phenyl)-N-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide |
Formula | C15 H20 N2 O5 |
Molecular Weight | 308.33 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CCC |
SMILES | CACTVS | 3.370 | CCCc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO |
Canonical SMILES | CACTVS | 3.370 | CCCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | DGGKRIGJIQRXQD-LLVKDONJSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 9839581 |
ChEMBL | CHEMBL107313 |