(4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one

C18H16BrNO2 — CID 11152532

IUPAC(4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1/C=C(/Br)c1ccccc1
InChIInChI=1S/C18H16BrNO2/c19-17(15-9-5-2-6-10-15)12-20-16(13-22-18(20)21)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2/b17-12+/t16-/m1/s1
InChIKeyRAOMTDWXRVOFNB-QRYYFKOISA-N
MW358.24 g/mol
LogP4.44
Rot. Bonds4

About (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 11152532) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID11152532
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name(4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1/C=C(/Br)c1ccccc1
InChIInChI=1S/C18H16BrNO2/c19-17(15-9-5-2-6-10-15)12-20-16(13-22-18(20)21)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2/b17-12+/t16-/m1/s1
InChIKeyRAOMTDWXRVOFNB-QRYYFKOISA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 11152532) is (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1/C=C(/Br)c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is RAOMTDWXRVOFNB-QRYYFKOISA-N. The full InChI is InChI=1S/C18H16BrNO2/c19-17(15-9-5-2-6-10-15)12-20-16(13-22-18(20)21)11-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2/b17-12+/t16-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 358.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11152532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).