2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide

C11H9FN4O4 — CID 107122878

IUPAC2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2N)no1
InChIInChI=1S/C11H9FN4O4/c1-5-4-8(15-20-5)14-11(17)9-6(12)2-3-7(10(9)13)16(18)19/h2-4H,13H2,1H3,(H,14,15,17)
InChIKeyCPHFSDAVCWOBMR-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide

2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide (PubChem CID 107122878) has the molecular formula C11H9FN4O4 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
PubChem CID107122878
Molecular FormulaC11H9FN4O4
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
SMILESCc1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2N)no1
InChIInChI=1S/C11H9FN4O4/c1-5-4-8(15-20-5)14-11(17)9-6(12)2-3-7(10(9)13)16(18)19/h2-4H,13H2,1H3,(H,14,15,17)
InChIKeyCPHFSDAVCWOBMR-UHFFFAOYSA-N
XLogP1.86
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 100921666
2-amino-6-fluoro-N-(6-methyl-3-pyridinyl)-3-nitrobenzamide
CID 107123277
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
2-amino-6-fluoro-N-(2-methyltetrazol-5-yl)-3-nitrobenzamide
CID 107123279
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
2-amino-6-fluoro-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 107122853
2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 107122948
2-fluoro-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62509692
2-amino-N-(2-ethylbutyl)-6-fluoro-3-nitrobenzamide
CID 107123381
4,5-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 884052
2-amino-6-fluoro-N-(3-methylbutyl)-3-nitrobenzamide
CID 107122826
2-amino-6-fluoro-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 107122944

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The IUPAC name of 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide (CID 107122878) is 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide is Cc1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2N)no1.
What is the InChIKey of 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
The InChIKey is CPHFSDAVCWOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O4/c1-5-4-8(15-20-5)14-11(17)9-6(12)2-3-7(10(9)13)16(18)19/h2-4H,13H2,1H3,(H,14,15,17).
What are the key properties of 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide?
2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide has a molecular weight of 280.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 107122878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).