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

C21H22N2O3S — CID 4194875

IUPAC2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-4-8-17(9-5-14)21-23-19(16(3)26-21)12-27(25)13-20(24)22-18-10-6-15(2)7-11-18/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyVIYUKRSQSTZRIM-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.15
Rot. Bonds6

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

2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide (PubChem CID 4194875) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide
PubChem CID4194875
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-4-8-17(9-5-14)21-23-19(16(3)26-21)12-27(25)13-20(24)22-18-10-6-15(2)7-11-18/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyVIYUKRSQSTZRIM-UHFFFAOYSA-N
XLogP4.15
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide (CID 4194875) is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1.
What is the InChIKey of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is VIYUKRSQSTZRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-4-8-17(9-5-14)21-23-19(16(3)26-21)12-27(25)13-20(24)22-18-10-6-15(2)7-11-18/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide?
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4194875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).