N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide

C24H24BrN5O4 — CID 53089105

IUPACN-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(Br)c(C)c4)c3C)c(C)o2)c(OC)c1
InChIInChI=1S/C24H24BrN5O4/c1-13-10-16(6-9-19(13)25)26-23(31)22-14(2)30(29-28-22)12-20-15(3)34-24(27-20)18-8-7-17(32-4)11-21(18)33-5/h6-11H,12H2,1-5H3,(H,26,31)
InChIKeyWYBUXTFLEQETON-UHFFFAOYSA-N
MW526.39 g/mol
LogP4.94
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide (PubChem CID 53089105) has the molecular formula C24H24BrN5O4 and a molecular weight of 526.39 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide
PubChem CID53089105
Molecular FormulaC24H24BrN5O4
Molecular Weight526.39 g/mol
Exact Mass525.10
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(Br)c(C)c4)c3C)c(C)o2)c(OC)c1
InChIInChI=1S/C24H24BrN5O4/c1-13-10-16(6-9-19(13)25)26-23(31)22-14(2)30(29-28-22)12-20-15(3)34-24(27-20)18-8-7-17(32-4)11-21(18)33-5/h6-11H,12H2,1-5H3,(H,26,31)
InChIKeyWYBUXTFLEQETON-UHFFFAOYSA-N
XLogP4.94
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-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

1-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 15988596
N-(3,4-dimethoxyphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
CID 53089185
N-(2,5-dimethoxyphenyl)-5-methyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089189
1-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 16875971
[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(4-bromo-3-methylphenyl)-5-methyltriazole-4-carboxylate
CID 50742819
1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 53089055
5-amino-N-(3,4-dimethoxyphenyl)-1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 46393338
1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53089135
1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 42585449
5-amino-1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-fluorophenyl)triazole-4-carboxamide
CID 50836740
N-(2,4-dimethylphenyl)-5-methyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089027
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide (CID 53089105) is N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide is COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(Br)c(C)c4)c3C)c(C)o2)c(OC)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is WYBUXTFLEQETON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O4/c1-13-10-16(6-9-19(13)25)26-23(31)22-14(2)30(29-28-22)12-20-15(3)34-24(27-20)18-8-7-17(32-4)11-21(18)33-5/h6-11H,12H2,1-5H3,(H,26,31).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 526.39 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 53089105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).