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

C22H23FN2O3S — CID 3331006

IUPAC2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc(F)cc3)c(C)o2)cc1
InChIInChI=1S/C22H23FN2O3S/c1-3-16-4-8-18(9-5-16)22-25-20(15(2)28-22)13-29(27)14-21(26)24-12-17-6-10-19(23)11-7-17/h4-11H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyZXEMSDYQXIXVMX-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.92
Rot. Bonds8

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

2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 3331006) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID3331006
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc(F)cc3)c(C)o2)cc1
InChIInChI=1S/C22H23FN2O3S/c1-3-16-4-8-18(9-5-16)22-25-20(15(2)28-22)13-29(27)14-21(26)24-12-17-6-10-19(23)11-7-17/h4-11H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyZXEMSDYQXIXVMX-UHFFFAOYSA-N
XLogP3.92
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 3331006) is 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide is CCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc(F)cc3)c(C)o2)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ZXEMSDYQXIXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-3-16-4-8-18(9-5-16)22-25-20(15(2)28-22)13-29(27)14-21(26)24-12-17-6-10-19(23)11-7-17/h4-11H,3,12-14H2,1-2H3,(H,24,26).
What are the key properties of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 414.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 3331006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).