N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide

C10H8FN3O6 — CID 142439102

IUPACN-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)C1C(=O)ONC1O
InChIInChI=1S/C10H8FN3O6/c11-5-2-1-4(14(18)19)3-6(5)12-8(15)7-9(16)13-20-10(7)17/h1-3,7,9,13,16H,(H,12,15)
InChIKeyHIQBIEBZBNRREP-UHFFFAOYSA-N
MW285.19 g/mol
LogP-0.33
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide

N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439102) has the molecular formula C10H8FN3O6 and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439102
Molecular FormulaC10H8FN3O6
Molecular Weight285.19 g/mol
Exact Mass285.04
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)C1C(=O)ONC1O
InChIInChI=1S/C10H8FN3O6/c11-5-2-1-4(14(18)19)3-6(5)12-8(15)7-9(16)13-20-10(7)17/h1-3,7,9,13,16H,(H,12,15)
InChIKeyHIQBIEBZBNRREP-UHFFFAOYSA-N
XLogP-0.33
TPSA130.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
N-(2-fluoro-5-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890637
sodium;carbamothioic S-acid;(2-fluoro-5-nitrophenyl)carbamothioic S-acid;hydride
CID 173394716
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2-fluoro-5-nitrophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60528238
N-(2-fluoro-5-nitrophenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60528597
4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
CID 114428072
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 116674855

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439102) is N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)C1C(=O)ONC1O.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is HIQBIEBZBNRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O6/c11-5-2-1-4(14(18)19)3-6(5)12-8(15)7-9(16)13-20-10(7)17/h1-3,7,9,13,16H,(H,12,15).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 285.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).