NRW
N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
Created: | 2016-03-23 |
Last modified: | 2016-04-06 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide |
Systematic Name (OpenEye OEToolkits) | N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide |
Formula | C12 H13 N3 O2 |
Molecular Weight | 231.251 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc2cc(C(N(C)Cc1cccnc1)=O)on2 |
SMILES | CACTVS | 3.385 | CN(Cc1cccnc1)C(=O)c2onc(C)c2 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)C(=O)N(C)Cc2cccnc2 |
Canonical SMILES | CACTVS | 3.385 | CN(Cc1cccnc1)C(=O)c2onc(C)c2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(on1)C(=O)N(C)Cc2cccnc2 |
InChI | InChI | 1.03 | InChI=1S/C12H13N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h3-7H,8H2,1-2H3 |
InChIKey | InChI | 1.03 | YRZCJLIACJLYBI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 53498840 |