(4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one

C18H15BrFNO3 — CID 86689559

IUPAC(4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Br)cc1F)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H15BrFNO3/c19-14-7-6-13(16(20)10-14)9-17(22)21-15(11-24-18(21)23)8-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2/t15-/m0/s1
InChIKeyWNVOMXFSJRYCQR-HNNXBMFYSA-N
MW392.22 g/mol
LogP3.72
Rot. Bonds4

About (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 86689559) has the molecular formula C18H15BrFNO3 and a molecular weight of 392.22 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID86689559
Molecular FormulaC18H15BrFNO3
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name(4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Br)cc1F)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H15BrFNO3/c19-14-7-6-13(16(20)10-14)9-17(22)21-15(11-24-18(21)23)8-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2/t15-/m0/s1
InChIKeyWNVOMXFSJRYCQR-HNNXBMFYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-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 (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one (CID 86689559) is (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one is O=C(Cc1ccc(Br)cc1F)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is WNVOMXFSJRYCQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15BrFNO3/c19-14-7-6-13(16(20)10-14)9-17(22)21-15(11-24-18(21)23)8-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2/t15-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 392.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86689559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).