6-[(1H-Imidazol-1-yl)(phenyl)methyl]-1,3-benzoxazol-2(3H)-one
Basic information
- CAS
698977-76-3- Standard SMILES
O=c1[nH]c2ccc(C(c3ccccc3)n3ccnc3)cc2o1- InChIKey
UZJSEWAZRQXSSF-UHFFFAOYSA-N- Molecular formula
- C17H13N3O2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.10077667
Names & identifiers
- Preferred name
- 6-[(1H-Imidazol-1-yl)(phenyl)methyl]-1,3-benzoxazol-2(3H)-one
- IUPAC
- 6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzoxazol-2-one
Names & synonyms
698977-76-36-[(1H-Imidazol-1-yl)(phenyl)methyl]-1,3-benzoxazol-2(3H)-oneSCHEMBL5471644DTXSID20730357
Database identifiers
- CAS
698977-76-3- PubChem CID
- 58828691
- DTXSID
DTXSID20730357- Nikkaji
- J2.002.375I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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