N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide

C11H8BrFN2O2 — CID 103274989

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1ccon1
InChIInChI=1S/C11H8BrFN2O2/c1-6-4-8(13)7(12)5-10(6)14-11(16)9-2-3-17-15-9/h2-5H,1H3,(H,14,16)
InChIKeyPHIILUJJHDRBMA-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.14
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 103274989) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID103274989
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1ccon1
InChIInChI=1S/C11H8BrFN2O2/c1-6-4-8(13)7(12)5-10(6)14-11(16)9-2-3-17-15-9/h2-5H,1H3,(H,14,16)
InChIKeyPHIILUJJHDRBMA-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

N-(4-bromo-3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 65430131
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103278131
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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide (CID 103274989) is N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1ccon1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PHIILUJJHDRBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-6-4-8(13)7(12)5-10(6)14-11(16)9-2-3-17-15-9/h2-5H,1H3,(H,14,16).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide 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 N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103274989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).