(4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C14H16BrNO2 — CID 101082491

IUPAC(4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C(/Br)c1ccccc1
InChIInChI=1S/C14H16BrNO2/c1-10(2)13-9-18-14(17)16(13)8-12(15)11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3/b12-8+/t13-/m1/s1
InChIKeyMIGICLOPYBGZLI-YQCJOKCJSA-N
MW310.19 g/mol
LogP3.86
Rot. Bonds3

About (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101082491) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101082491
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name(4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C(/Br)c1ccccc1
InChIInChI=1S/C14H16BrNO2/c1-10(2)13-9-18-14(17)16(13)8-12(15)11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3/b12-8+/t13-/m1/s1
InChIKeyMIGICLOPYBGZLI-YQCJOKCJSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101082491) is (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/C=C(/Br)c1ccccc1.
What is the InChIKey of (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MIGICLOPYBGZLI-YQCJOKCJSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10(2)13-9-18-14(17)16(13)8-12(15)11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3/b12-8+/t13-/m1/s1.
What are the key properties of (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 310.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-2-bromo-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101082491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).