Basic information
- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)c2nc(N3CCCCC3)oc12- InChIKey
BITQNGZICYGWBX-UHFFFAOYSA-N- Molecular formula
- C20H17F2N3O6
- Average molar mass
- 433.4 g/mol
Names & identifiers
- Preferred name
- 4-Difluoromethoxy-2-(piperidin-1-yl)-benzooxazole-7-carboxylic acid 4-nitro-phenyl ester
- IUPAC
- (4-nitrophenyl) 4-(difluoromethoxy)-2-piperidin-1-yl-1,3-benzoxazole-7-carboxylate
Names & synonyms
4-difluoromethoxy-2-(piperidin-1-yl)-benzooxazole-7-carboxylic acid 4-nitro-phenyl esterSCHEMBL6610665
Database identifiers
- PubChem CID
- 69838534
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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