5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

C14H13NO2S — CID 57459817

IUPAC5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)CN1Cc1cccs1
InChIInChI=1S/C14H13NO2S/c16-14-15(9-12-7-4-8-18-12)10-13(17-14)11-5-2-1-3-6-11/h1-8,13H,9-10H2
InChIKeyYAJQBAMHOVACRN-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.44
Rot. Bonds3

About 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 57459817) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID57459817
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)CN1Cc1cccs1
InChIInChI=1S/C14H13NO2S/c16-14-15(9-12-7-4-8-18-12)10-13(17-14)11-5-2-1-3-6-11/h1-8,13H,9-10H2
InChIKeyYAJQBAMHOVACRN-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (CID 57459817) is 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2)CN1Cc1cccs1.
What is the InChIKey of 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YAJQBAMHOVACRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-14-15(9-12-7-4-8-18-12)10-13(17-14)11-5-2-1-3-6-11/h1-8,13H,9-10H2.
What are the key properties of 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 259.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57459817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).