5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

C13H16BrNO3 — CID 2725802

IUPAC5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccc(Br)cc2)OC1=O
InChIInChI=1S/C13H16BrNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZWWHJSZDVHUDEE-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.06
Rot. Bonds4

About 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 2725802) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID2725802
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2ccc(Br)cc2)OC1=O
InChIInChI=1S/C13H16BrNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZWWHJSZDVHUDEE-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 2725802) is 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(COc2ccc(Br)cc2)OC1=O.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZWWHJSZDVHUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-9(2)15-7-12(18-13(15)16)8-17-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 314.18 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).