3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one

C12H14BrNO3 — CID 115064858

IUPAC3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCO)CN1Cc1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)7-14-8-11(5-6-15)17-12(14)16/h1-4,11,15H,5-8H2
InChIKeyOEZODJKRYXAPFH-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.15
Rot. Bonds4

About 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one

3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one (PubChem CID 115064858) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
PubChem CID115064858
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCO)CN1Cc1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)7-14-8-11(5-6-15)17-12(14)16/h1-4,11,15H,5-8H2
InChIKeyOEZODJKRYXAPFH-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one (CID 115064858) is 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one is O=C1OC(CCO)CN1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is OEZODJKRYXAPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)7-14-8-11(5-6-15)17-12(14)16/h1-4,11,15H,5-8H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
3-[(4-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-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).