(1,3-Benzoxazol-2-yl)(3-fluorophenyl)methyl N-methylcarbamate
Basic information
- CAS
104029-68-7- Standard SMILES
CNC(=O)OC(c1cccc(F)c1)c1nc2ccccc2o1- InChIKey
LUQXETSVRPISAP-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O3
- Average molar mass
- 300.28 g/mol
- Monoisotopic mass
- 300.09102044
Names & identifiers
- Preferred name
- (1,3-Benzoxazol-2-yl)(3-fluorophenyl)methyl N-methylcarbamate
- IUPAC
- [1,3-benzoxazol-2-yl-(3-fluorophenyl)methyl] N-methylcarbamate
Names & synonyms
104029-68-7(1,3-Benzoxazol-2-yl)(3-fluorophenyl)methyl N-methylcarbamateDTXSID40908733(1,3-Benzoxazol-2-yl)(3-fluorophenyl)methyl hydrogen methylcarbonimidate
Database identifiers
- CAS
104029-68-7- PubChem CID
- 190657
- DTXSID
DTXSID40908733
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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