Basic information
- CAS
92552-31-3- Standard SMILES
Cc1nc2cc(Cc3ccccc3)ccc2o1- InChIKey
QJPSBMDBZCLZKY-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 5-Benzyl-2-methylbenzoxazole
- IUPAC
- 5-benzyl-2-methyl-1,3-benzoxazole
- English name
- 5-benzyl-2-methylbenzoxazole
- Molecular formula
- C15H13NO
- Molecular weight
- 223.26982
Names & synonyms
5-Benzyl-2-methylbenzoxazole92552-31-35-Benzyl-2-methylbenzo[d]oxazoleMLS0027070455-benzyl-2-methyl-1,3-benzoxazoleEINECS 296-361-9NSC120633CHEMBL1871975DTXSID10239041QJPSBMDBZCLZKY-UHFFFAOYSA-NNSC 120633NSC-120633
Show more names
2-Methyl-5-(phenylmethyl)benzoxazole
SMR001574441DS-008927NS00039470
Database identifiers
- CAS
92552-31-3- PubChem CID
- 97393
- DTXSID
DTXSID10239041- ChEMBL
CHEMBL1871975- EC Number
- 296-361-9
- Nikkaji
- J333.385J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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