4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C22H24N2O3 — CID 19444934

IUPAC4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C22H24N2O3/c1-13-6-9-20(16(4)10-13)23-22(25)21-19(17(5)27-24-21)12-26-18-8-7-14(2)15(3)11-18/h6-11H,12H2,1-5H3,(H,23,25)
InChIKeyVIAIJRKGWWEKKU-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.05
Rot. Bonds5

About 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444934) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19444934
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C22H24N2O3/c1-13-6-9-20(16(4)10-13)23-22(25)21-19(17(5)27-24-21)12-26-18-8-7-14(2)15(3)11-18/h6-11H,12H2,1-5H3,(H,23,25)
InChIKeyVIAIJRKGWWEKKU-UHFFFAOYSA-N
XLogP5.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 71651871
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488534
4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443960
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445012
N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492323

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19444934) is 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VIAIJRKGWWEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13-6-9-20(16(4)10-13)23-22(25)21-19(17(5)27-24-21)12-26-18-8-7-14(2)15(3)11-18/h6-11H,12H2,1-5H3,(H,23,25).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).