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

C12H10BrFN2O2 — CID 103278131

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1ocnc1C
InChIInChI=1S/C12H10BrFN2O2/c1-6-3-9(14)8(13)4-10(6)16-12(17)11-7(2)15-5-18-11/h3-5H,1-2H3,(H,16,17)
InChIKeyKERCCBLNPSGVCT-UHFFFAOYSA-N
MW313.13 g/mol
LogP3.45
Rot. Bonds2

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

N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 103278131) 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)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID103278131
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1ocnc1C
InChIInChI=1S/C12H10BrFN2O2/c1-6-3-9(14)8(13)4-10(6)16-12(17)11-7(2)15-5-18-11/h3-5H,1-2H3,(H,16,17)
InChIKeyKERCCBLNPSGVCT-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-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113330185
N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113438958
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 103274989
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 107593473
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103819414
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 103278131) is N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1ocnc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is KERCCBLNPSGVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-6-3-9(14)8(13)4-10(6)16-12(17)11-7(2)15-5-18-11/h3-5H,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-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)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 103278131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).