2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide

C10H6FN3O4 — CID 62415056

IUPAC2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
SMILESO=C(Nc1cnoc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H6FN3O4/c11-9-2-1-7(14(16)17)3-8(9)10(15)13-6-4-12-18-5-6/h1-5H,(H,13,15)
InChIKeyZOVYWQQYURYPLO-UHFFFAOYSA-N
MW251.17 g/mol
LogP1.97
Rot. Bonds3

About 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide

2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 62415056) has the molecular formula C10H6FN3O4 and a molecular weight of 251.17 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
PubChem CID62415056
Molecular FormulaC10H6FN3O4
Molecular Weight251.17 g/mol
Exact Mass251.03
IUPAC Name2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
SMILESO=C(Nc1cnoc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H6FN3O4/c11-9-2-1-7(14(16)17)3-8(9)10(15)13-6-4-12-18-5-6/h1-5H,(H,13,15)
InChIKeyZOVYWQQYURYPLO-UHFFFAOYSA-N
XLogP1.97
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-fluoro-5-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62904514
5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62902582
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
2-fluoro-5-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 43377509
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide (CID 62415056) is 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide is O=C(Nc1cnoc1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is ZOVYWQQYURYPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O4/c11-9-2-1-7(14(16)17)3-8(9)10(15)13-6-4-12-18-5-6/h1-5H,(H,13,15).
What are the key properties of 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide?
2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 251.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 62415056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).