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

C17H22N2O3S — CID 86985226

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide
SMILESCOC(CNC(=O)CSCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-12-15(13(2)22-19-12)10-23-11-17(20)18-9-16(21-3)14-7-5-4-6-8-14/h4-8,16H,9-11H2,1-3H3,(H,18,20)
InChIKeyXLVARKLGIZTWAB-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.03
Rot. Bonds8

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide (PubChem CID 86985226) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide
PubChem CID86985226
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide
SMILESCOC(CNC(=O)CSCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-12-15(13(2)22-19-12)10-23-11-17(20)18-9-16(21-3)14-7-5-4-6-8-14/h4-8,16H,9-11H2,1-3H3,(H,18,20)
InChIKeyXLVARKLGIZTWAB-UHFFFAOYSA-N
XLogP3.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-2-phenylbutyl)acetamide
CID 86981270
N-[2-(dimethylamino)-2-phenylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 84603506
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-phenylbutyl)acetamide
CID 43017658
3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 62674245
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 30826058
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110909081
N-[(2R)-2-(3,4-difluorophenyl)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 99812186
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78772602
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
N-(2-cyclopropyl-2-hydroxyethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 55171020

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide (CID 86985226) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide is COC(CNC(=O)CSCc1c(C)noc1C)c1ccccc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide?
The InChIKey is XLVARKLGIZTWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-15(13(2)22-19-12)10-23-11-17(20)18-9-16(21-3)14-7-5-4-6-8-14/h4-8,16H,9-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxy-2-phenylethyl)acetamide is sourced from PubChem (CID 86985226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).