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

C19H20N2O3S2 — CID 5308329

IUPAC2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CS(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O3S2/c1-14-16(21-19(24-14)17-8-5-11-25-17)12-26(23)13-18(22)20-10-9-15-6-3-2-4-7-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyFJRSKBXWRTUPLF-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.32
Rot. Bonds8

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

2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide (PubChem CID 5308329) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide
PubChem CID5308329
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CS(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O3S2/c1-14-16(21-19(24-14)17-8-5-11-25-17)12-26(23)13-18(22)20-10-9-15-6-3-2-4-7-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyFJRSKBXWRTUPLF-UHFFFAOYSA-N
XLogP3.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.32
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-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide (CID 5308329) is 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide is Cc1oc(-c2cccs2)nc1CS(=O)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide?
The InChIKey is FJRSKBXWRTUPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-14-16(21-19(24-14)17-8-5-11-25-17)12-26(23)13-18(22)20-10-9-15-6-3-2-4-7-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,22).
What are the key properties of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide?
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5308329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).