2-{4-[3-(Piperidin-1-yl)propoxy]phenoxy}-1,3-benzoxazole
Basic information
- CAS
1045855-74-0- Standard SMILES
c1ccc2oc(Oc3ccc(OCCCN4CCCCC4)cc3)nc2c1- InChIKey
AXAJOTXUFNUVRQ-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- 2-{4-[3-(Piperidin-1-yl)propoxy]phenoxy}-1,3-benzoxazole
- IUPAC
- 2-[4-(3-piperidin-1-ylpropoxy)phenoxy]-1,3-benzoxazole
Names & synonyms
2-{4-[3-(piperidin-1-yl)propoxy]phenoxy}-1,3-benzoxazoleBenzoxazole compound, 3CHEMBL517998BDBM24240DTXSID1012277631045855-74-02-[4-[3-(1-Piperidinyl)propoxy]phenoxy]benzoxazole
Database identifiers
- CAS
1045855-74-0- PubChem CID
- 24901593
- DTXSID
DTXSID101227763- ChEMBL
CHEMBL517998
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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