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

C20H22N2O4S — CID 5075630

IUPAC2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-15-6-8-16(9-7-15)20-22-18(14(2)26-20)12-27(24)13-19(23)21-11-17-5-4-10-25-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyHOEQKLXIUOUYKI-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.37
Rot. Bonds8

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

2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5075630) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID5075630
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O4S/c1-3-15-6-8-16(9-7-15)20-22-18(14(2)26-20)12-27(24)13-19(23)21-11-17-5-4-10-25-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyHOEQKLXIUOUYKI-UHFFFAOYSA-N
XLogP3.37
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide (CID 5075630) is 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide is CCc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HOEQKLXIUOUYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-15-6-8-16(9-7-15)20-22-18(14(2)26-20)12-27(24)13-19(23)21-11-17-5-4-10-25-17/h4-10H,3,11-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5075630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).