3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one

C9H7BrClNO2 — CID 107612952

IUPAC3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H7BrClNO2/c10-7-2-1-6(5-8(7)11)12-3-4-14-9(12)13/h1-2,5H,3-4H2
InChIKeyAPWKUZYLZNRPMH-UHFFFAOYSA-N
MW276.52 g/mol
LogP3.06
Rot. Bonds1

About 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one

3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 107612952) has the molecular formula C9H7BrClNO2 and a molecular weight of 276.52 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
PubChem CID107612952
Molecular FormulaC9H7BrClNO2
Molecular Weight276.52 g/mol
Exact Mass274.93
IUPAC Name3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H7BrClNO2/c10-7-2-1-6(5-8(7)11)12-3-4-14-9(12)13/h1-2,5H,3-4H2
InChIKeyAPWKUZYLZNRPMH-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
3-(2-chloroquinazolin-7-yl)-1,3-oxazolidin-2-one
CID 162747859
4-(4-bromo-3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 2932256
3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
CID 130498812
(1R,2S,6R,7R,8S,9R)-8,9-dibromo-4-(4-bromo-3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124717766
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
3-(4-chlorophenyl)-1,3-oxazinan-2-one
CID 13450496

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one (CID 107612952) is 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is APWKUZYLZNRPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO2/c10-7-2-1-6(5-8(7)11)12-3-4-14-9(12)13/h1-2,5H,3-4H2.
What are the key properties of 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one?
3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 276.52 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 107612952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).