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

C11H12BrNO2 — CID 83903279

IUPAC5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(c2cccc(Br)c2)OC1=O
InChIInChI=1S/C11H12BrNO2/c1-2-13-7-10(15-11(13)14)8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3
InChIKeyFIUSCFWNKYENKH-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.96
Rot. Bonds2

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

5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one (PubChem CID 83903279) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one
PubChem CID83903279
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(c2cccc(Br)c2)OC1=O
InChIInChI=1S/C11H12BrNO2/c1-2-13-7-10(15-11(13)14)8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3
InChIKeyFIUSCFWNKYENKH-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 82084411
2-[5-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 83850912
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550
(5R)-5-(3-bromophenyl)-3-[(2R)-1-(2,4-diethoxyphenyl)butan-2-yl]-1,3-oxazolidin-2-one
CID 139747950
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
tert-butyl 2-[(2S)-2-(3-bromophenyl)-5-oxomorpholin-4-yl]acetate
CID 129373502
1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione
CID 155251084
(6S)-6-(3-bromophenyl)morpholin-2-one
CID 129373505
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one (CID 83903279) is 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one is CCN1CC(c2cccc(Br)c2)OC1=O.
What is the InChIKey of 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is FIUSCFWNKYENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-13-7-10(15-11(13)14)8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3.
What are the key properties of 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one?
5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 83903279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).