3-(4-bromophenyl)-1,3-oxazolidin-2-one

C9H8BrNO2 — CID 12979290

IUPAC3-(4-bromophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h1-4H,5-6H2
InChIKeyFJGPGFCQWYNYPR-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.41
Rot. Bonds1

About 3-(4-bromophenyl)-1,3-oxazolidin-2-one

3-(4-bromophenyl)-1,3-oxazolidin-2-one (PubChem CID 12979290) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,3-oxazolidin-2-one
PubChem CID12979290
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name3-(4-bromophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h1-4H,5-6H2
InChIKeyFJGPGFCQWYNYPR-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromophenyl)-1,3-oxazolidin-2-one (CID 12979290) is 3-(4-bromophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromophenyl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1,3-oxazolidin-2-one?
The InChIKey is FJGPGFCQWYNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-7-1-3-8(4-2-7)11-5-6-13-9(11)12/h1-4H,5-6H2.
What are the key properties of 3-(4-bromophenyl)-1,3-oxazolidin-2-one?
3-(4-bromophenyl)-1,3-oxazolidin-2-one has a molecular weight of 242.07 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 12979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).