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

C9H8BrNO2 — CID 12793541

IUPAC4-(4-bromophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(Br)cc2)CO1
InChIInChI=1S/C9H8BrNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKeyZMFGCUVSMQUNBH-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.23
Rot. Bonds1

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

4-(4-bromophenyl)-1,3-oxazolidin-2-one (PubChem CID 12793541) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,3-oxazolidin-2-one
PubChem CID12793541
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name4-(4-bromophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(Br)cc2)CO1
InChIInChI=1S/C9H8BrNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKeyZMFGCUVSMQUNBH-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 4-(4-bromophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4-bromophenyl)-1,3-oxazolidin-2-one (CID 12793541) is 4-(4-bromophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1,3-oxazolidin-2-one is O=C1NC(c2ccc(Br)cc2)CO1.
What is the InChIKey of 4-(4-bromophenyl)-1,3-oxazolidin-2-one?
The InChIKey is ZMFGCUVSMQUNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12).
What are the key properties of 4-(4-bromophenyl)-1,3-oxazolidin-2-one?
4-(4-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 4-(4-bromophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 12793541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).