3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C11H6FN3O6 — CID 107369206

IUPAC3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6FN3O6/c12-6-2-1-5(15(19)20)3-7(6)13-10(16)8-4-9(11(17)18)21-14-8/h1-4H,(H,13,16)(H,17,18)
InChIKeyXQUBQLIHPRZGJR-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.67
Rot. Bonds4

About 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369206) has the molecular formula C11H6FN3O6 and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369206
Molecular FormulaC11H6FN3O6
Molecular Weight295.18 g/mol
Exact Mass295.02
IUPAC Name3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6FN3O6/c12-6-2-1-5(15(19)20)3-7(6)13-10(16)8-4-9(11(17)18)21-14-8/h1-4H,(H,13,16)(H,17,18)
InChIKeyXQUBQLIHPRZGJR-UHFFFAOYSA-N
XLogP1.67
TPSA135.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369206) is 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is XQUBQLIHPRZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O6/c12-6-2-1-5(15(19)20)3-7(6)13-10(16)8-4-9(11(17)18)21-14-8/h1-4H,(H,13,16)(H,17,18).
What are the key properties of 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 295.18 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).