5Q7
5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
Created: | 2015-11-09 |
Last modified: | 2016-04-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
---|---|
Name | 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile |
Systematic Name (OpenEye OEToolkits) | 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile |
Formula | C8 H11 N3 O |
Molecular Weight | 165.192 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)Cc1oc(N)c(n1)C#N |
SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)Cc1nc(c(o1)N)C#N |
Canonical SMILES | CACTVS | 3.385 | CC(C)Cc1oc(N)c(n1)C#N |
Canonical SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)Cc1nc(c(o1)N)C#N |
InChI | InChI | 1.03 | InChI=1S/C8H11N3O/c1-5(2)3-7-11-6(4-9)8(10)12-7/h5H,3,10H2,1-2H3 |
InChIKey | InChI | 1.03 | SLPCJMOIVJSWSS-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 66008659 |