N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C12H10BrClN2O2 — CID 81024357

IUPACN-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O2/c1-6-11(7(2)18-16-6)12(17)15-10-4-3-8(14)5-9(10)13/h3-5H,1-2H3,(H,15,17)
InChIKeyUQYWSQQPTWAYSZ-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.96
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 81024357) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID81024357
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC NameN-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O2/c1-6-11(7(2)18-16-6)12(17)15-10-4-3-8(14)5-9(10)13/h3-5H,1-2H3,(H,15,17)
InChIKeyUQYWSQQPTWAYSZ-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414759
N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102979124
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805843
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 106834710
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
N-(5-acetamido-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 60557374
N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174120
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 81024357) is N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is UQYWSQQPTWAYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-6-11(7(2)18-16-6)12(17)15-10-4-3-8(14)5-9(10)13/h3-5H,1-2H3,(H,15,17).
What are the key properties of N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 329.58 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 81024357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).