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

C10H10BrNO2 — CID 66817851

IUPAC3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)ccc1Br
InChIInChI=1S/C10H10BrNO2/c1-7-6-8(2-3-9(7)11)12-4-5-14-10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyRTZGCHWDHMRHRT-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.71
Rot. Bonds1

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

3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 66817851) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID66817851
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)ccc1Br
InChIInChI=1S/C10H10BrNO2/c1-7-6-8(2-3-9(7)11)12-4-5-14-10(12)13/h2-3,6H,4-5H2,1H3
InChIKeyRTZGCHWDHMRHRT-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
CID 107612952
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
4-amino-6-(4-bromo-3-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 144792146
6-(aminomethyl)-3-(4-bromo-3-methylphenyl)-1,3-oxazinan-2-one
CID 117010789
3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 107575225
3-(4-bromo-3-methylphenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010516
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
(1R,2R,6S,7R)-4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23376421
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
CID 130498812
(7aS)-2-(4-bromo-3-methylphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione;methane
CID 159660048

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one (CID 66817851) is 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cc(N2CCOC2=O)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is RTZGCHWDHMRHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-7-6-8(2-3-9(7)11)12-4-5-14-10(12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one?
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.71, 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-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66817851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).