(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one

C7H6BrNO2S — CID 130116570

IUPAC(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2sccc2Br)CO1
InChIInChI=1S/C7H6BrNO2S/c8-4-1-2-12-6(4)5-3-11-7(10)9-5/h1-2,5H,3H2,(H,9,10)/t5-/m0/s1
InChIKeyZXKUPJJHQNNOIU-YFKPBYRVSA-N
MW248.10 g/mol
LogP2.29
Rot. Bonds1

About (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one

(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one (PubChem CID 130116570) has the molecular formula C7H6BrNO2S and a molecular weight of 248.10 g/mol. Its IUPAC name is (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
PubChem CID130116570
Molecular FormulaC7H6BrNO2S
Molecular Weight248.10 g/mol
Exact Mass246.93
IUPAC Name(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2sccc2Br)CO1
InChIInChI=1S/C7H6BrNO2S/c8-4-1-2-12-6(4)5-3-11-7(10)9-5/h1-2,5H,3H2,(H,9,10)/t5-/m0/s1
InChIKeyZXKUPJJHQNNOIU-YFKPBYRVSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one (CID 130116570) is (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2sccc2Br)CO1.
What is the InChIKey of (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is ZXKUPJJHQNNOIU-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H6BrNO2S/c8-4-1-2-12-6(4)5-3-11-7(10)9-5/h1-2,5H,3H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one?
(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 248.10 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130116570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).