Basic information
- CAS
838816-92-5- Standard SMILES
Cc1cccc(OCCCn2c(=O)oc3ccccc32)c1- InChIKey
GNXWZPLFZLNPGO-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- 3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-one
- IUPAC
- 3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2-one
Names & synonyms
838816-92-53-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-one3-(3-(m-tolyloxy)propyl)benzo[d]oxazol-2(3H)-one3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2-oneMLS000676143CHEMBL1413826DTXSID301321810HMS2766G05AKOS001145018UPCMLD0ENAT5446939:001SMR000296945ST50112257
Show more names
SR-01000301252SR-01000301252-1Z577289333-[3-(3-methylphenoxy)propyl]-3-hydrobenzoxazol-2-oneF1764-0018
Database identifiers
- CAS
838816-92-5- PubChem CID
- 2147692
- DTXSID
DTXSID301321810- ChEMBL
CHEMBL1413826
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility4.6 [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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