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

C18H15BrFNO3 — CID 167505232

IUPAC(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1cccc(Br)c1F)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H15BrFNO3/c19-15-8-4-7-13(17(15)20)10-16(22)21-14(11-24-18(21)23)9-12-5-2-1-3-6-12/h1-8,14H,9-11H2/t14-/m0/s1
InChIKeySCJDFLVUMPCWGJ-AWEZNQCLSA-N
MW392.22 g/mol
LogP3.72
Rot. Bonds4

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

(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 167505232) has the molecular formula C18H15BrFNO3 and a molecular weight of 392.22 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID167505232
Molecular FormulaC18H15BrFNO3
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1cccc(Br)c1F)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H15BrFNO3/c19-15-8-4-7-13(17(15)20)10-16(22)21-14(11-24-18(21)23)9-12-5-2-1-3-6-12/h1-8,14H,9-11H2/t14-/m0/s1
InChIKeySCJDFLVUMPCWGJ-AWEZNQCLSA-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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Related Compounds

(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59315466
(4S)-4-benzyl-3-[2-[2-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one
CID 16755427
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 15935410
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 167686968
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one (CID 167505232) is (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one is O=C(Cc1cccc(Br)c1F)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is SCJDFLVUMPCWGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15BrFNO3/c19-15-8-4-7-13(17(15)20)10-16(22)21-14(11-24-18(21)23)9-12-5-2-1-3-6-12/h1-8,14H,9-11H2/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(3-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-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167505232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).