5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C11H9BrFN3O2 — CID 62815928

IUPAC5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)c(F)cc2Br)on1
InChIInChI=1S/C11H9BrFN3O2/c1-5-2-10(18-16-5)15-11(17)6-3-9(14)8(13)4-7(6)12/h2-4H,14H2,1H3,(H,15,17)
InChIKeyZBQYRKNZHTXXHO-UHFFFAOYSA-N
MW314.11 g/mol
LogP2.72
Rot. Bonds2

About 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide

5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 62815928) has the molecular formula C11H9BrFN3O2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID62815928
Molecular FormulaC11H9BrFN3O2
Molecular Weight314.11 g/mol
Exact Mass312.99
IUPAC Name5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)c(F)cc2Br)on1
InChIInChI=1S/C11H9BrFN3O2/c1-5-2-10(18-16-5)15-11(17)6-3-9(14)8(13)4-7(6)12/h2-4H,14H2,1H3,(H,15,17)
InChIKeyZBQYRKNZHTXXHO-UHFFFAOYSA-N
XLogP2.72
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62831072
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 61089900
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464
5-amino-2-bromo-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55118101
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 62815928) is 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2cc(N)c(F)cc2Br)on1.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is ZBQYRKNZHTXXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2/c1-5-2-10(18-16-5)15-11(17)6-3-9(14)8(13)4-7(6)12/h2-4H,14H2,1H3,(H,15,17).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 314.11 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 62815928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).