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

C18H15BrClNO3 — CID 59315466

IUPAC(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Br)cc1Cl)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H15BrClNO3/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-/m1/s1
InChIKeyRFJFSYDDPXNORD-OAHLLOKOSA-N
MW408.68 g/mol
LogP4.24
Rot. Bonds4

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

(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 59315466) has the molecular formula C18H15BrClNO3 and a molecular weight of 408.68 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID59315466
Molecular FormulaC18H15BrClNO3
Molecular Weight408.68 g/mol
Exact Mass406.99
IUPAC Name(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Br)cc1Cl)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H15BrClNO3/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-/m1/s1
InChIKeyRFJFSYDDPXNORD-OAHLLOKOSA-N
XLogP4.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 167505232
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
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
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one (CID 59315466) is (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one is O=C(Cc1ccc(Br)cc1Cl)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is RFJFSYDDPXNORD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15BrClNO3/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-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 408.68 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[2-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59315466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).