4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide

C22H22N2O3 — CID 126614847

IUPAC4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide
SMILESCc1ccc(-c2nc(CC(=O)CC(=O)Nc3cccc(C)c3)c(C)o2)cc1
InChIInChI=1S/C22H22N2O3/c1-14-7-9-17(10-8-14)22-24-20(16(3)27-22)12-19(25)13-21(26)23-18-6-4-5-15(2)11-18/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyBRQXXTDENVJZTE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds6

About 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide

4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide (PubChem CID 126614847) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide.

Molecular Properties

Compound Name4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide
PubChem CID126614847
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide
SMILESCc1ccc(-c2nc(CC(=O)CC(=O)Nc3cccc(C)c3)c(C)o2)cc1
InChIInChI=1S/C22H22N2O3/c1-14-7-9-17(10-8-14)22-24-20(16(3)27-22)12-19(25)13-21(26)23-18-6-4-5-15(2)11-18/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyBRQXXTDENVJZTE-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
CID 110426261
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371758
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110371664
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110426122
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371709
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110420420

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide?
The IUPAC name of 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide (CID 126614847) is 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide.
What is the SMILES notation for 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide?
The canonical SMILES for 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide is Cc1ccc(-c2nc(CC(=O)CC(=O)Nc3cccc(C)c3)c(C)o2)cc1.
What is the InChIKey of 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide?
The InChIKey is BRQXXTDENVJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-7-9-17(10-8-14)22-24-20(16(3)27-22)12-19(25)13-21(26)23-18-6-4-5-15(2)11-18/h4-11H,12-13H2,1-3H3,(H,23,26).
What are the key properties of 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide?
4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide has a molecular weight of 362.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(3-methylphenyl)-3-oxobutanamide is sourced from PubChem (CID 126614847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).