Ethyl 6-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylate
Basic information
- CAS
76972-98-0- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)nn2c1COC(=O)C2- InChIKey
HSCDNDPTYTUVSV-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- Ethyl 6-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylate
- IUPAC
- ethyl 6-oxo-2-phenyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine-3-carboxylate
Names & synonyms
76972-98-0NSC349230DTXSID20319681NSC-349230Ethyl 6-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylateDS-001182ethyl 3-oxo-8-phenyl-4-oxa-1,9-diazabicyclo[4.3.0]nona-6,8-diene-7-carboxylate
Database identifiers
- CAS
76972-98-0- PubChem CID
- 336162
- DTXSID
DTXSID20319681
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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