5-(2-bromophenyl)-1,3-oxazolidin-2-one

C9H8BrNO2 — CID 82647013

IUPAC5-(2-bromophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(c2ccccc2Br)O1
InChIInChI=1S/C9H8BrNO2/c10-7-4-2-1-3-6(7)8-5-11-9(12)13-8/h1-4,8H,5H2,(H,11,12)
InChIKeyPUKUZZNKOSNMBV-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.23
Rot. Bonds1

About 5-(2-bromophenyl)-1,3-oxazolidin-2-one

5-(2-bromophenyl)-1,3-oxazolidin-2-one (PubChem CID 82647013) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-1,3-oxazolidin-2-one
PubChem CID82647013
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name5-(2-bromophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(c2ccccc2Br)O1
InChIInChI=1S/C9H8BrNO2/c10-7-4-2-1-3-6(7)8-5-11-9(12)13-8/h1-4,8H,5H2,(H,11,12)
InChIKeyPUKUZZNKOSNMBV-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-bromophenyl)-1,3-oxazolidin-2-one (CID 82647013) is 5-(2-bromophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-bromophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-bromophenyl)-1,3-oxazolidin-2-one is O=C1NCC(c2ccccc2Br)O1.
What is the InChIKey of 5-(2-bromophenyl)-1,3-oxazolidin-2-one?
The InChIKey is PUKUZZNKOSNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-7-4-2-1-3-6(7)8-5-11-9(12)13-8/h1-4,8H,5H2,(H,11,12).
What are the key properties of 5-(2-bromophenyl)-1,3-oxazolidin-2-one?
5-(2-bromophenyl)-1,3-oxazolidin-2-one has a molecular weight of 242.07 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82647013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).