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

C18H15BrFNO3 — CID 67450499

IUPAC4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Br)cc1F)N1C(=O)OCC1Cc1ccccc1
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
InChIKeyWNVOMXFSJRYCQR-UHFFFAOYSA-N
MW392.22 g/mol
LogP3.72
Rot. Bonds4

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

4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 67450499) has the molecular formula C18H15BrFNO3 and a molecular weight of 392.22 g/mol. Its IUPAC name is 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID67450499
Molecular FormulaC18H15BrFNO3
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Br)cc1F)N1C(=O)OCC1Cc1ccccc1
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
InChIKeyWNVOMXFSJRYCQR-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one (CID 67450499) is 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one is O=C(Cc1ccc(Br)cc1F)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is WNVOMXFSJRYCQR-UHFFFAOYSA-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.
What are the key properties of 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
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 4-benzyl-3-[2-(4-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67450499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).