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

C10H10BrNO3 — CID 115063936

IUPAC3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1c1ccccc1Br
InChIInChI=1S/C10H10BrNO3/c11-8-3-1-2-4-9(8)12-7(5-13)6-15-10(12)14/h1-4,7,13H,5-6H2
InChIKeyFFPMEUOXBDGVAD-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.77
Rot. Bonds2

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

3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 115063936) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID115063936
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1c1ccccc1Br
InChIInChI=1S/C10H10BrNO3/c11-8-3-1-2-4-9(8)12-7(5-13)6-15-10(12)14/h1-4,7,13H,5-6H2
InChIKeyFFPMEUOXBDGVAD-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
CID 115102521
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063939
(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
CID 97274733
3-(2-bromophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009765
3-(hydroxymethyl)-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 76707461
3-(2-bromophenyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102689766
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
[(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol
CID 141130960

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 115063936) is 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OCC(CO)N1c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is FFPMEUOXBDGVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-8-3-1-2-4-9(8)12-7(5-13)6-15-10(12)14/h1-4,7,13H,5-6H2.
What are the key properties of 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 272.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115063936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).