N~4~,N~5~-Diethyl-2-phenyl-1,3-oxazole-4,5-dicarboximidic acid
Basic information
- CAS
42469-39-6- Standard SMILES
CCNC(=O)c1nc(-c2ccccc2)oc1C(=O)NCC- InChIKey
QACJFBZCOCJCGP-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- N~4~,N~5~-Diethyl-2-phenyl-1,3-oxazole-4,5-dicarboximidic acid
- IUPAC
- 4-N,5-N-diethyl-2-phenyl-1,3-oxazole-4,5-dicarboxamide
- English name
- N,N'-Diethyl-2-phenyl-4,5-oxazoledicarboxamide
- Molecular formula
- C15H17N3O3
- Molecular weight
- 287.31
Names & synonyms
42469-39-6DTXSID90962507N~4~,N~5~-Diethyl-2-phenyl-1,3-oxazole-4,5-dicarboximidic acidRefChem:1093467DTXCID501390310BRN 1015866N,N'-Diethyl-2-phenyloxazole-4,5-dicarboxamideN,N'-Diethyl-2-phenyl-4,5-oxazoledicarboxamideOxazole-4,5-dicarboxamide, N,N'-diethyl-2-phenyl-4,5-Oxazoledicarboxamide, N4,N5-diethyl-2-phenyl-
Database identifiers
- CAS
42469-39-6- PubChem CID
- 3039166
- DTXSID
DTXSID90962507- Nikkaji
- J42.605I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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