N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide

C13H13BrN2O2 — CID 100801901

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)cc(Br)cc2C)co1
InChIInChI=1S/C13H13BrN2O2/c1-7-4-10(14)5-8(2)12(7)16-13(17)11-6-18-9(3)15-11/h4-6H,1-3H3,(H,16,17)
InChIKeyLJAMMNCNVJUJTK-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.61
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 100801901) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID100801901
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)cc(Br)cc2C)co1
InChIInChI=1S/C13H13BrN2O2/c1-7-4-10(14)5-8(2)12(7)16-13(17)11-6-18-9(3)15-11/h4-6H,1-3H3,(H,16,17)
InChIKeyLJAMMNCNVJUJTK-UHFFFAOYSA-N
XLogP3.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464297
2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 55116293
N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 60794252
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
CID 880666
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 100775650
N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62185216
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 100801901) is N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2c(C)cc(Br)cc2C)co1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is LJAMMNCNVJUJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-7-4-10(14)5-8(2)12(7)16-13(17)11-6-18-9(3)15-11/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 100801901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).