N-(5-methyl-1,2-oxazol-3-yl)-2-(3-nitrophenoxy)acetamide
Basic information
- CAS
692266-91-4- Standard SMILES
Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)no1- InChIKey
PCKFSOULYIFDMM-UHFFFAOYSA-N- Molecular formula
- C12H11N3O5
- Average molar mass
- 277.23 g/mol
- Monoisotopic mass
- 277.06987046
Names & identifiers
- Preferred name
- N-(5-methyl-1,2-oxazol-3-yl)-2-(3-nitrophenoxy)acetamide
- IUPAC
- N-(5-methyl-1,2-oxazol-3-yl)-2-(3-nitrophenoxy)acetamide
Names & synonyms
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-nitrophenoxy)acetamide692266-91-4MLS001034824CHEMBL1421955DTXSID701321955HMS2979D11STK223666AKOS001274005UPCMLD0ENAT5617878:001SMR000665640SR-01000260885SR-01000260885-1
Show more names
Z19803124
Database identifiers
- CAS
692266-91-4- PubChem CID
- 889491
- DTXSID
DTXSID701321955- ChEMBL
CHEMBL1421955
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Solubility2.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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