Basic information
- CAS
638142-22-0- Standard SMILES
Cc1cccc(OCCCn2c(=O)oc3ccc(C)cc32)c1- InChIKey
PPPCUNSSWONMHM-UHFFFAOYSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Names & identifiers
- Preferred name
- 5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
- IUPAC
- 5-methyl-3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2-one
Names & synonyms
638142-22-05-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one5-methyl-3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2-one5-methyl-3-(3-(m-tolyloxy)propyl)benzo[d]oxazol-2(3H)-one5-methyl-3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-oneBAS 07566998MLS000708200CHEMBL1329283DTXSID301321808HMS2715I05STK894999AKOS000570613
Show more names
SMR000287667ST50027526AT-057/42282858Z57728713F1572-01045-methyl-3-[3-(3-methylphenoxy)propyl]-3-hydrobenzoxazol-2-one
Database identifiers
- CAS
638142-22-0- PubChem CID
- 2130278
- DTXSID
DTXSID301321808- ChEMBL
CHEMBL1329283
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
Solubility3.3 [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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