5-Chloro-2-(1-piperidyl)benzooxazole
Basic information
- CAS
78750-03-5- Standard SMILES
Clc1ccc2oc(N3CCCCC3)nc2c1- InChIKey
YGFYTUACVRNBRK-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O
- Average molar mass
- 236.7 g/mol
- Monoisotopic mass
- 236.0716407
Names & identifiers
- Preferred name
- 5-Chloro-2-(1-piperidyl)benzooxazole
- IUPAC
- 5-chloro-2-piperidin-1-yl-1,3-benzoxazole
- English name
- 5-chloro-2-(1-piperidyl)benzooxazole
- Molecular formula
- C12H13ClN2O
- Molecular weight
- 0
Names & synonyms
78750-03-55-chloro-2-(1-piperidyl)benzooxazoleNSC249755-chloro-2-(piperidin-1-yl)-1,3-benzoxazoleSCHEMBL6489959NIOSH/DM4815500DTXSID70282215YGFYTUACVRNBRK-UHFFFAOYSA-N5-Chloro-2-(piperidino)benzoxazoleNSC-249755-chloro-2-(1-piperidyl)benzoxazoleBenzoxazole, 5-chloro-2-(piperidino)-
Show more names
DM48155000
Database identifiers
- CAS
78750-03-5- PubChem CID
- 230296
- DTXSID
DTXSID70282215- Nikkaji
- J3.175.638C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
5 records
Compound notes
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