N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C12H10BrFN2O2 — CID 103274895

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C12H10BrFN2O2/c1-6-3-10(14)9(13)4-11(6)16-12(17)8-5-15-18-7(8)2/h3-5H,1-2H3,(H,16,17)
InChIKeyNKJZCUBOXSSTJH-UHFFFAOYSA-N
MW313.13 g/mol
LogP3.45
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 103274895) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID103274895
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C12H10BrFN2O2/c1-6-3-10(14)9(13)4-11(6)16-12(17)8-5-15-18-7(8)2/h3-5H,1-2H3,(H,16,17)
InChIKeyNKJZCUBOXSSTJH-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

N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43806378
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103278131
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 103274895) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NKJZCUBOXSSTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-6-3-10(14)9(13)4-11(6)16-12(17)8-5-15-18-7(8)2/h3-5H,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide 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 N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 103274895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).