3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione

C11H10BrNO3 — CID 67528948

IUPAC3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO3/c12-9-3-1-8(2-4-9)5-6-13-10(14)7-16-11(13)15/h1-4H,5-7H2
InChIKeyRCHIJDJYCHDFGO-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.97
Rot. Bonds3

About 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione

3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 67528948) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID67528948
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO3/c12-9-3-1-8(2-4-9)5-6-13-10(14)7-16-11(13)15/h1-4H,5-7H2
InChIKeyRCHIJDJYCHDFGO-UHFFFAOYSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Oxazolidinedione, 3-benzyl-
CID 230350
3-[6-(3-Bromophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145966396
3-[6-(4-Bromophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145978440
3-[2-(4-Bromophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 71472805
3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 138666585
3-(4-Bromo-2-fluorobenzyl)-1,3-oxazolidin-2-one
CID 61531992
(R)-2-(4-bromo-2-fluorophenyl) propanoyl oxazolidin-2-one
CID 131743029
3-(2-Bromo-2-phenylethyl)-1,3-oxazolidin-2-one
CID 12954954
3-[1-(4-Bromophenyl)ethyl]-1,3-oxazolidin-2-one
CID 81608958
3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 135083657
3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one
CID 139116596
3-[2-(3-Bromo-4-fluorophenyl)ethyl]-1,3-oxazolidin-2-one
CID 105525337

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione (CID 67528948) is 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1CCc1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is RCHIJDJYCHDFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-9-3-1-8(2-4-9)5-6-13-10(14)7-16-11(13)15/h1-4H,5-7H2.
What are the key properties of 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 284.11 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 67528948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).