Basic information
- CAS
609335-15-1- Standard SMILES
Cc1ccc(Cn2c(=O)oc3ccccc32)cc1- InChIKey
RWEIHCNUVWZMOR-UHFFFAOYSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Names & identifiers
- Preferred name
- 3-(4-methylbenzyl)-1,3-benzoxazol-2(3H)-one
- IUPAC
- 3-[(4-methylphenyl)methyl]-1,3-benzoxazol-2-one
Names & synonyms
609335-15-13-(4-methylbenzyl)-1,3-benzoxazol-2(3H)-one3-[(4-methylphenyl)methyl]-1,3-benzoxazol-2-one3-(4-methylbenzyl)benzo[d]oxazol-2(3H)-one3-[(4-Methylphenyl)methyl]-1,3-benzoxazol-2(3H)-oneMLS000707401F1434-0003CHEMBL1331829DTXSID601322217HMS1616I02HMS2744B22STK894967
Show more names
AKOS000571054CCG-115520UPCMLD0ENAT5446400:001SMR000288866ST50026260AT-057/417854503-[(4-methylphenyl)methyl]-3-hydrobenzoxazol-2-oneZ15399752
Database identifiers
- CAS
609335-15-1- PubChem CID
- 752256
- DTXSID
DTXSID601322217- ChEMBL
CHEMBL1331829
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Solubility1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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