3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one

C20H21BrFNO3 — CID 58246424

IUPAC3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccc(Br)cc1)N1CC(CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C20H21BrFNO3/c1-14(15-3-7-17(21)8-4-15)23-13-20(11-2-12-24,26-19(23)25)16-5-9-18(22)10-6-16/h3-10,14,24H,2,11-13H2,1H3/t14-,20?/m0/s1
InChIKeyOHZPYEQNVFSSDV-PVCZSOGJSA-N
MW422.29 g/mol
LogP4.77
Rot. Bonds6

About 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one

3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one (PubChem CID 58246424) has the molecular formula C20H21BrFNO3 and a molecular weight of 422.29 g/mol. Its IUPAC name is 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one
PubChem CID58246424
Molecular FormulaC20H21BrFNO3
Molecular Weight422.29 g/mol
Exact Mass421.07
IUPAC Name3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccc(Br)cc1)N1CC(CCCO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C20H21BrFNO3/c1-14(15-3-7-17(21)8-4-15)23-13-20(11-2-12-24,26-19(23)25)16-5-9-18(22)10-6-16/h3-10,14,24H,2,11-13H2,1H3/t14-,20?/m0/s1
InChIKeyOHZPYEQNVFSSDV-PVCZSOGJSA-N
XLogP4.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one 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 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one (CID 58246424) is 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one is C[C@@H](c1ccc(Br)cc1)N1CC(CCCO)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one?
The InChIKey is OHZPYEQNVFSSDV-PVCZSOGJSA-N. The full InChI is InChI=1S/C20H21BrFNO3/c1-14(15-3-7-17(21)8-4-15)23-13-20(11-2-12-24,26-19(23)25)16-5-9-18(22)10-6-16/h3-10,14,24H,2,11-13H2,1H3/t14-,20?/m0/s1.
What are the key properties of 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one?
3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one has a molecular weight of 422.29 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-bromophenyl)ethyl]-5-(4-fluorophenyl)-5-(3-hydroxypropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58246424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).