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

C20H21N3O3S — CID 5309424

IUPAC2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)20-23-18(15(2)26-20)12-27(25)13-19(24)22-11-17-5-3-4-10-21-17/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyGODWRFIRFLSTMB-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.92
Rot. Bonds7

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

2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 5309424) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID5309424
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)20-23-18(15(2)26-20)12-27(25)13-19(24)22-11-17-5-3-4-10-21-17/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyGODWRFIRFLSTMB-UHFFFAOYSA-N
XLogP2.92
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide (CID 5309424) is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1.
What is the InChIKey of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GODWRFIRFLSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-6-8-16(9-7-14)20-23-18(15(2)26-20)12-27(25)13-19(24)22-11-17-5-3-4-10-21-17/h3-10H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 5309424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).