4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole

C16H15NO3S2 — CID 51333896

IUPAC4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESO=S(=O)(CCc1ccccc1)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H15NO3S2/c18-22(19,10-8-13-5-2-1-3-6-13)12-14-11-20-16(17-14)15-7-4-9-21-15/h1-7,9,11H,8,10,12H2
InChIKeyFCGFTTDMYQTWOZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.56
Rot. Bonds6

About 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole

4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 51333896) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID51333896
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole
SMILESO=S(=O)(CCc1ccccc1)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H15NO3S2/c18-22(19,10-8-13-5-2-1-3-6-13)12-14-11-20-16(17-14)15-7-4-9-21-15/h1-7,9,11H,8,10,12H2
InChIKeyFCGFTTDMYQTWOZ-UHFFFAOYSA-N
XLogP3.56
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole (CID 51333896) is 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole is O=S(=O)(CCc1ccccc1)Cc1coc(-c2cccs2)n1.
What is the InChIKey of 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is FCGFTTDMYQTWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c18-22(19,10-8-13-5-2-1-3-6-13)12-14-11-20-16(17-14)15-7-4-9-21-15/h1-7,9,11H,8,10,12H2.
What are the key properties of 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole?
4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 333.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 51333896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).