3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one

C12H14BrNO3 — CID 115064830

IUPAC3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCO)CN1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-9(6-10)7-14-8-11(4-5-15)17-12(14)16/h1-3,6,11,15H,4-5,7-8H2
InChIKeyJONAYGHIARNVCC-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.15
Rot. Bonds4

About 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one

3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one (PubChem CID 115064830) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
PubChem CID115064830
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCO)CN1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-9(6-10)7-14-8-11(4-5-15)17-12(14)16/h1-3,6,11,15H,4-5,7-8H2
InChIKeyJONAYGHIARNVCC-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064858
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117274608
5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 59580293
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837745
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
3-[(3-bromophenyl)methyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009633
1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060343

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one (CID 115064830) is 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one is O=C1OC(CCO)CN1Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is JONAYGHIARNVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-3-1-2-9(6-10)7-14-8-11(4-5-15)17-12(14)16/h1-3,6,11,15H,4-5,7-8H2.
What are the key properties of 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 300.15 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).