4-Chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
Basic information
- CAS
6362-68-1- Standard SMILES
CCc1ccc2oc(-c3cc(N)ccc3Cl)nc2c1- InChIKey
GVUPCYYOTYBDCG-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0716407
Names & identifiers
- Preferred name
- 4-Chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
- IUPAC
- 4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
Names & synonyms
4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline426243-36-9MLS0000344416362-68-14-Chloro-3-(5-ethyl-benzooxazol-2-yl)-phenylamineSMR000013963[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]amineCambridge id 6362681Oprea1_451086cid_644550CHEMBL1607194BDBM77627
Show more names
DTXSID40349389HMS2333B19BBL000271MFCD01114831STK345453AKOS000108343CCG-109030VS-00538
Database identifiers
- CAS
6362-68-1- PubChem CID
- 644550
- DTXSID
DTXSID40349389- ChEMBL
CHEMBL1607194
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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