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

C11H7BrF2N2O2 — CID 113330185

IUPACN-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H7BrF2N2O2/c1-5-10(18-4-15-5)11(17)16-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3,(H,16,17)
InChIKeyJMHMUFHFFUBLBM-UHFFFAOYSA-N
MW317.09 g/mol
LogP3.28
Rot. Bonds2

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

N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 113330185) has the molecular formula C11H7BrF2N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID113330185
Molecular FormulaC11H7BrF2N2O2
Molecular Weight317.09 g/mol
Exact Mass315.97
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H7BrF2N2O2/c1-5-10(18-4-15-5)11(17)16-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3,(H,16,17)
InChIKeyJMHMUFHFFUBLBM-UHFFFAOYSA-N
XLogP3.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103278131
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
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-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79487939
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 113281025
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113438958

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 113330185) is N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is JMHMUFHFFUBLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2/c1-5-10(18-4-15-5)11(17)16-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 317.09 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 113330185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).