2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone

C11H12BrNO3S — CID 112736721

IUPAC2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone
SMILESO=C(CSc1ccc(Br)cc1)N1CC(O)CO1
InChIInChI=1S/C11H12BrNO3S/c12-8-1-3-10(4-2-8)17-7-11(15)13-5-9(14)6-16-13/h1-4,9,14H,5-7H2
InChIKeyAVLPXZALRMVJPS-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone

2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone (PubChem CID 112736721) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone
PubChem CID112736721
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone
SMILESO=C(CSc1ccc(Br)cc1)N1CC(O)CO1
InChIInChI=1S/C11H12BrNO3S/c12-8-1-3-10(4-2-8)17-7-11(15)13-5-9(14)6-16-13/h1-4,9,14H,5-7H2
InChIKeyAVLPXZALRMVJPS-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone (CID 112736721) is 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone is O=C(CSc1ccc(Br)cc1)N1CC(O)CO1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
The InChIKey is AVLPXZALRMVJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-8-1-3-10(4-2-8)17-7-11(15)13-5-9(14)6-16-13/h1-4,9,14H,5-7H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone?
2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone has a molecular weight of 318.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone is sourced from PubChem (CID 112736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).