Basic information
- Standard SMILES
COc1cc(-c2nc3ccccc3o2)ccc1Cn1ncnn1- InChIKey
KGEYYDKKOZEQQA-UHFFFAOYSA-N- Molecular formula
- C16H13N5O2
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.10692467
Names & identifiers
- Preferred name
- 2-[3-methoxy-4-(2H-tetrazol-2-ylmethyl)phenyl]-1,3-benzoxazole
- IUPAC
- 2-[3-methoxy-4-(tetrazol-2-ylmethyl)phenyl]-1,3-benzoxazole
Names & synonyms
SCHEMBL5831714KGEYYDKKOZEQQA-UHFFFAOYSA-N2-[3-methoxy-4-(2H-tetrazol-2-ylmethyl)phenyl]-1,3-benzoxazole
Database identifiers
- PubChem CID
- 10286374
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
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