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

C11H8BrFN2O2 — CID 115669438

IUPAC5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
SMILESCc1coc(NC(=O)c2cc(Br)ccc2F)n1
InChIInChI=1S/C11H8BrFN2O2/c1-6-5-17-11(14-6)15-10(16)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H,14,15,16)
InChIKeyYHITUVQWZIDVNH-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.14
Rot. Bonds2

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

5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide (PubChem CID 115669438) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
PubChem CID115669438
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
SMILESCc1coc(NC(=O)c2cc(Br)ccc2F)n1
InChIInChI=1S/C11H8BrFN2O2/c1-6-5-17-11(14-6)15-10(16)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H,14,15,16)
InChIKeyYHITUVQWZIDVNH-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide (CID 115669438) is 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide is Cc1coc(NC(=O)c2cc(Br)ccc2F)n1.
What is the InChIKey of 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is YHITUVQWZIDVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-6-5-17-11(14-6)15-10(16)8-4-7(12)2-3-9(8)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 299.10 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 115669438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).