4,4-Dimethyl-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole
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Basic information
- CAS
82998-95-6- Standard SMILES
CC1(C)COC(c2cccc([N+](=O)[O-])c2)=N1- InChIKey
QIAYGYJTXPWMBQ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 4,4-Dimethyl-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole
- IUPAC
- 4,4-dimethyl-2-(3-nitrophenyl)-5H-1,3-oxazole
- English name
- 4,5-DIHYDRO-4,4-DIMETHYL-2-(3-NITROPHENYL)OXAZOLE
- Molecular formula
- C11H12N2O3
- Molecular weight
- 220.22
Names & synonyms
82998-95-64,4-dimethyl-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole4,4-dimethyl-2-(3-nitrophenyl)-4,5-dihydrooxazole4,4-dimethyl-2-(3-nitrophenyl)-5H-1,3-oxazole4,5-DIHYDRO-4,4-DIMETHYL-2-(3-NITROPHENYL)OXAZOLECambridge id 6104365SCHEMBL12643293DTXSID90348685STK871309AKOS001621366AB00102583-01SR-01000450496
Show more names
SR-01000450496-1oxazole, 4,5-dihydro-4,4-dimethyl-2-(3-nitrophenyl)-InChI=1/C11H12N2O3/c1-11(2)7-16-10(12-11)8-4-3-5-9(6-8)13(14)15/h3-6H,7H2,1-2H
Database identifiers
- CAS
82998-95-6- PubChem CID
- 639991
- DTXSID
DTXSID90348685- Nikkaji
- J901.742I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
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Compound notes
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