YHW
Summary
| Name: | (5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
| Formula: | C14 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 263.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
| OpenEye OEToolkits | 2.0.7 | 3-phenyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-2,1-benzoxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc2noc(c12)c1ccccc1)c1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19) |
| InChIKey | InChI | 1.06 | QREZWQBEFHLIQN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1nnnc1c2ccc3noc(c4ccccc4)c3c2 |
| SMILES | CACTVS | 3.385 | [nH]1nnnc1c2ccc3noc(c4ccccc4)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3cc(ccc3no2)c4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3cc(ccc3no2)c4[nH]nnn4 |
