Basic information
- CAS
20000-53-7- Standard SMILES
COC(=O)c1ccc(-c2nc3ccccc3o2)cc1- InChIKey
KDKBWBVNDADEON-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- Methyl 4-(benzoxazol-2-yl)benzoate
- IUPAC
- methyl 4-(1,3-benzoxazol-2-yl)benzoate
Names & synonyms
20000-53-7Methyl 4-(benzoxazol-2-yl)benzoateRefChem:355418methyl 4-(1,3-benzoxazol-2-yl)benzoatemethyl 4-(benzo[d]oxazol-2-yl)benzoateMLS000028248BAS 003290274-Benzooxazol-2-yl-benzoic acid methyl esterTimTec1_006734Oprea1_273527Oprea1_658173SCHEMBL3372495
Show more names
CHEMBL1609199KDKBWBVNDADEON-UHFFFAOYSA-NDTXSID401295701HMS1553C02STL3878172-(4-carbomethoxyphenyl)-benzoxazolemethyl 4-(benzoxazol-2-yl)-benzoateAKOS000299842
Database identifiers
- CAS
20000-53-7- PubChem CID
- 650931
- DTXSID
DTXSID401295701- ChEMBL
CHEMBL1609199- Nikkaji
- J1.987.535K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
7 records
Compound notes
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