[(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol

C16H16BrNO2 — CID 11175000

IUPAC[(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol
SMILESOC[C@@]1(Br)CON(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-16(11-19)12-20-18(14-9-5-2-6-10-14)15(16)13-7-3-1-4-8-13/h1-10,15,19H,11-12H2/t15-,16-/m1/s1
InChIKeyJMWQEFPNYNFNOC-HZPDHXFCSA-N
MW334.21 g/mol
LogP3.31
Rot. Bonds3

About [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol

[(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol (PubChem CID 11175000) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol
PubChem CID11175000
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name[(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol
SMILESOC[C@@]1(Br)CON(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-16(11-19)12-20-18(14-9-5-2-6-10-14)15(16)13-7-3-1-4-8-13/h1-10,15,19H,11-12H2/t15-,16-/m1/s1
InChIKeyJMWQEFPNYNFNOC-HZPDHXFCSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol?
The IUPAC name of [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol (CID 11175000) is [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol?
The canonical SMILES for [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol is OC[C@@]1(Br)CON(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol?
The InChIKey is JMWQEFPNYNFNOC-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-16(11-19)12-20-18(14-9-5-2-6-10-14)15(16)13-7-3-1-4-8-13/h1-10,15,19H,11-12H2/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol?
[(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol has a molecular weight of 334.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-bromo-2,3-diphenyl-1,2-oxazolidin-4-yl]methanol is sourced from PubChem (CID 11175000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).