2-Methyl-5-(4-nitrophenyl)-1,3-oxazole
Basic information
- CAS
31699-02-2- Standard SMILES
Cc1ncc(-c2ccc([N+](=O)[O-])cc2)o1- InChIKey
KGVYXYUOGFKYDQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 2-Methyl-5-(4-nitrophenyl)-1,3-oxazole
- IUPAC
- 2-methyl-5-(4-nitrophenyl)-1,3-oxazole
- English name
- Oxazole,2-methyl-5-(4-nitrophenyl)-
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
2-methyl-5-(4-nitrophenyl)-1,3-oxazole31699-02-2DTXSID40289933RefChem:263497DTXCID202410792-Methyl-5-(4-nitrophenyl)oxazoleOxazole,2-methyl-5-(4-nitrophenyl)-MFCD00022431oxazole, 2-methyl-5-(4-nitrophenyl)-NSC65663NCIOpen2_003023SCHEMBL11151582
Show more names
2-methyl-5-(3′-methylphenyl)oxazole
ALBB-023955NSC-65663STK1494362-methyl-5-(3'-methylphenyl)oxazoleAKOS003245123LS-07655SY314325CS-0323612
Database identifiers
- CAS
31699-02-2- PubChem CID
- 248490
- DTXSID
DTXSID40289933- Nikkaji
- J2.751.887G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 161 · 161-162 °C
- Boiling point
- 350.3 · 350.3±17.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 0.76 · 0.76±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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