2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide

C12H10BrFN2O2 — CID 65488531

IUPAC2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
SMILESCc1noc(NC(=O)c2cc(F)ccc2Br)c1C
InChIInChI=1S/C12H10BrFN2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H,15,17)
InChIKeyBCFQJENYXFESQL-UHFFFAOYSA-N
MW313.13 g/mol
LogP3.45
Rot. Bonds2

About 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide

2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide (PubChem CID 65488531) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
PubChem CID65488531
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
SMILESCc1noc(NC(=O)c2cc(F)ccc2Br)c1C
InChIInChI=1S/C12H10BrFN2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H,15,17)
InChIKeyBCFQJENYXFESQL-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 114372486
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 65481168
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691255
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide (CID 65488531) is 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide is Cc1noc(NC(=O)c2cc(F)ccc2Br)c1C.
What is the InChIKey of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide?
The InChIKey is BCFQJENYXFESQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H,15,17).
What are the key properties of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide?
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide has a molecular weight of 313.13 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide is sourced from PubChem (CID 65488531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).