4-Oxazolecarboxamide, 2-(2,3-dihydroxyphenyl)-4,5-dihydro-N-hydroxy-N-(2-(1H-imidazol-4-yl)ethyl)-5-methyl-, cis-(-)-
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Basic information
- CAS
160472-93-5- Standard SMILES
C[C@H]1OC(c2cccc(O)c2O)=N[C@H]1C(=O)N(O)CCc1cnc[nH]1- InChIKey
YQXURFXJBIFMOA-ZANVPECISA-N- Molecular formula
- C16H18N4O5
- Average molar mass
- 346.34 g/mol
- Monoisotopic mass
- 346.12771969
Names & identifiers
- Preferred name
- 4-Oxazolecarboxamide, 2-(2,3-dihydroxyphenyl)-4,5-dihydro-N-hydroxy-N-(2-(1H-imidazol-4-yl)ethyl)-5-methyl-, cis-(-)-
- IUPAC
- (4R,5R)-2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
- English name
- acinetobactin
- Molecular formula
- C16H18N4O5
- Molecular weight
- 346.34
Names & synonyms
(4R,5R)-2-(2,3-Dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide4-Oxazolecarboxamide, 2-(2,3-dihydroxyphenyl)-4,5-dihydro-N-hydroxy-N-(2-(1H-imidazol-4-yl)ethyl)-5-methyl-, cis-(-)-acinetobactinBenzamide, 2,3-dihydroxy-N-[(4S,5S)-2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-oxo-4-isoxazolidinyl]-
Database identifiers
- CAS
160472-93-5- PubChem CID
- 190950
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 7.97 · 7.97±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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