2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide

C23H26N2O3S — CID 4174345

IUPAC2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C23H26N2O3S/c1-3-27-20-11-9-19(10-12-20)23-25-21(17(2)28-23)15-29-16-22(26)24-14-13-18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3,(H,24,26)
InChIKeySMNLROLRLDZISW-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.64
Rot. Bonds10

About 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide

2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 4174345) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID4174345
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C23H26N2O3S/c1-3-27-20-11-9-19(10-12-20)23-25-21(17(2)28-23)15-29-16-22(26)24-14-13-18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3,(H,24,26)
InChIKeySMNLROLRLDZISW-UHFFFAOYSA-N
XLogP4.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 4174345) is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide is CCOc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is SMNLROLRLDZISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-27-20-11-9-19(10-12-20)23-25-21(17(2)28-23)15-29-16-22(26)24-14-13-18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3,(H,24,26).
What are the key properties of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4174345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).