N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H9BrClFN2O2 — CID 103874009

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(Cl)cc(F)cc2Br)o1
InChIInChI=1S/C12H9BrClFN2O2/c1-5-11(19-6(2)16-5)12(18)17-10-8(13)3-7(15)4-9(10)14/h3-4H,1-2H3,(H,17,18)
InChIKeyNZJVVMRAGRSZNC-UHFFFAOYSA-N
MW347.57 g/mol
LogP4.10
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 103874009) has the molecular formula C12H9BrClFN2O2 and a molecular weight of 347.57 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID103874009
Molecular FormulaC12H9BrClFN2O2
Molecular Weight347.57 g/mol
Exact Mass345.95
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(Cl)cc(F)cc2Br)o1
InChIInChI=1S/C12H9BrClFN2O2/c1-5-11(19-6(2)16-5)12(18)17-10-8(13)3-7(15)4-9(10)14/h3-4H,1-2H3,(H,17,18)
InChIKeyNZJVVMRAGRSZNC-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103867824
N-(2-bromo-6-chloro-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107470577
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 103874009) is N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2c(Cl)cc(F)cc2Br)o1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is NZJVVMRAGRSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2/c1-5-11(19-6(2)16-5)12(18)17-10-8(13)3-7(15)4-9(10)14/h3-4H,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 347.57 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 103874009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).