3-Piperidinomethyl-5-chlorobenzoxazolin-2-one
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Basic information
- CAS
16376-55-9- Standard SMILES
O=c1oc2ccc(Cl)cc2n1CN1CCCCC1- InChIKey
VGVOSAQBSIETLT-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2
- Average molar mass
- 266.72 g/mol
- Monoisotopic mass
- 266.0822054
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Piperidinomethyl-5-chlorobenzoxazolin-2-one
- IUPAC
- 5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
- English name
- 3-piperidinomethyl-5-chlorobenzoxazolin-2-one
- Molecular formula
- C13H15ClN2O2
- Molecular weight
- 266.72
Names & synonyms
3-Piperidinomethyl-5-chlorobenzoxazolin-2-one16376-55-9DTXSID50167657RefChem:95368DTXCID80901485-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-oneCHEMBL952043-Pmcbo5-Chloro-3-piperidin-1-ylmethyl-3H-benzooxazol-2-oneTimTec1_008083Oprea1_418666HMS1556P09
Show more names
BDBM50290818AKOS000552720IDI1_033737AG-205/098520152(3H)-Benzoxazolone, 5-chloro-3-(1-piperidinylmethyl)-5-chloro-3-(1-piperidinylmethyl)-1,3-benzoxazol-2(3H)-one5-Chloro-3-[(piperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
16376-55-9- PubChem CID
- 152144
- DTXSID
DTXSID50167657- ChEMBL
CHEMBL95204
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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