N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H12BrN3O2 — CID 82861939

IUPACN-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N)c(Br)c2)o1
InChIInChI=1S/C12H12BrN3O2/c1-6-11(18-7(2)15-6)12(17)16-8-3-4-10(14)9(13)5-8/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyPNRSKOVYIYKUQI-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.89
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 82861939) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID82861939
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N)c(Br)c2)o1
InChIInChI=1S/C12H12BrN3O2/c1-6-11(18-7(2)15-6)12(17)16-8-3-4-10(14)9(13)5-8/h3-5H,14H2,1-2H3,(H,16,17)
InChIKeyPNRSKOVYIYKUQI-UHFFFAOYSA-N
XLogP2.89
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-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-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79164756
N-(4-bromo-3-nitrophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75440008
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 82861939) is N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(N)c(Br)c2)o1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is PNRSKOVYIYKUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-6-11(18-7(2)15-6)12(17)16-8-3-4-10(14)9(13)5-8/h3-5H,14H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 82861939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).