4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol

C17H18BrNO2 — CID 26415005

IUPAC4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](c2cc(Br)ccc2O)N1C
InChIInChI=1S/C17H18BrNO2/c1-11-16(12-6-4-3-5-7-12)21-17(19(11)2)14-10-13(18)8-9-15(14)20/h3-11,16-17,20H,1-2H3/t11-,16-,17-/m0/s1
InChIKeyUSLVDHPPHHAWNG-GOPGUHFVSA-N
MW348.24 g/mol
LogP4.25
Rot. Bonds2

About 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol

4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol (PubChem CID 26415005) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
PubChem CID26415005
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](c2cc(Br)ccc2O)N1C
InChIInChI=1S/C17H18BrNO2/c1-11-16(12-6-4-3-5-7-12)21-17(19(11)2)14-10-13(18)8-9-15(14)20/h3-11,16-17,20H,1-2H3/t11-,16-,17-/m0/s1
InChIKeyUSLVDHPPHHAWNG-GOPGUHFVSA-N
XLogP4.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
The IUPAC name of 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol (CID 26415005) is 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol is C[C@H]1[C@@H](c2ccccc2)O[C@@H](c2cc(Br)ccc2O)N1C.
What is the InChIKey of 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
The InChIKey is USLVDHPPHHAWNG-GOPGUHFVSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-16(12-6-4-3-5-7-12)21-17(19(11)2)14-10-13(18)8-9-15(14)20/h3-11,16-17,20H,1-2H3/t11-,16-,17-/m0/s1.
What are the key properties of 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol?
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol has a molecular weight of 348.24 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol is sourced from PubChem (CID 26415005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).