4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

C20H17NO3S — CID 4916467

IUPAC4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)C(O)(c2ccccc2)N1Cc1cccs1
InChIInChI=1S/C20H17NO3S/c22-19-21(14-17-12-7-13-25-17)20(23,16-10-5-2-6-11-16)18(24-19)15-8-3-1-4-9-15/h1-13,18,23H,14H2
InChIKeyLUOUFCILZDDTNK-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.29
Rot. Bonds4

About 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 4916467) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID4916467
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)C(O)(c2ccccc2)N1Cc1cccs1
InChIInChI=1S/C20H17NO3S/c22-19-21(14-17-12-7-13-25-17)20(23,16-10-5-2-6-11-16)18(24-19)15-8-3-1-4-9-15/h1-13,18,23H,14H2
InChIKeyLUOUFCILZDDTNK-UHFFFAOYSA-N
XLogP4.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (CID 4916467) is 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2)C(O)(c2ccccc2)N1Cc1cccs1.
What is the InChIKey of 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is LUOUFCILZDDTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c22-19-21(14-17-12-7-13-25-17)20(23,16-10-5-2-6-11-16)18(24-19)15-8-3-1-4-9-15/h1-13,18,23H,14H2.
What are the key properties of 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 351.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5-diphenyl-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 4916467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).