4-(2-bromophenyl)-1,2-oxazolidine

C9H10BrNO — CID 105485151

IUPAC4-(2-bromophenyl)-1,2-oxazolidine
SMILESBrc1ccccc1C1CNOC1
InChIInChI=1S/C9H10BrNO/c10-9-4-2-1-3-8(9)7-5-11-12-6-7/h1-4,7,11H,5-6H2
InChIKeyCBSIYVRJNYTUGH-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.07
Rot. Bonds1

About 4-(2-bromophenyl)-1,2-oxazolidine

4-(2-bromophenyl)-1,2-oxazolidine (PubChem CID 105485151) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-1,2-oxazolidine
PubChem CID105485151
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name4-(2-bromophenyl)-1,2-oxazolidine
SMILESBrc1ccccc1C1CNOC1
InChIInChI=1S/C9H10BrNO/c10-9-4-2-1-3-8(9)7-5-11-12-6-7/h1-4,7,11H,5-6H2
InChIKeyCBSIYVRJNYTUGH-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(2-bromophenyl)-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1,2-oxazolidine?
The IUPAC name of 4-(2-bromophenyl)-1,2-oxazolidine (CID 105485151) is 4-(2-bromophenyl)-1,2-oxazolidine.
What is the SMILES notation for 4-(2-bromophenyl)-1,2-oxazolidine?
The canonical SMILES for 4-(2-bromophenyl)-1,2-oxazolidine is Brc1ccccc1C1CNOC1.
What is the InChIKey of 4-(2-bromophenyl)-1,2-oxazolidine?
The InChIKey is CBSIYVRJNYTUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-9-4-2-1-3-8(9)7-5-11-12-6-7/h1-4,7,11H,5-6H2.
What are the key properties of 4-(2-bromophenyl)-1,2-oxazolidine?
4-(2-bromophenyl)-1,2-oxazolidine has a molecular weight of 228.09 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1,2-oxazolidine is sourced from PubChem (CID 105485151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).