(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one

C19H18BrNO3 — CID 57045887

IUPAC(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(Br)cc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H18BrNO3/c20-16-9-6-14(7-10-16)8-11-18(22)21-17(13-24-19(21)23)12-15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2/t17-/m1/s1
InChIKeyHXDMKVCFDBATSZ-QGZVFWFLSA-N
MW388.26 g/mol
LogP3.97
Rot. Bonds5

About (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 57045887) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID57045887
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(Br)cc1)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H18BrNO3/c20-16-9-6-14(7-10-16)8-11-18(22)21-17(13-24-19(21)23)12-15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2/t17-/m1/s1
InChIKeyHXDMKVCFDBATSZ-QGZVFWFLSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
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-(4-bromo-2-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59315466
(4S)-3-(3-azulen-1-ylpropanoyl)-4-benzyl-1,3-oxazolidin-2-one
CID 15432210
4-benzyl-3-(5-pyridin-4-ylpentanoyl)-1,3-oxazolidin-2-one
CID 23373753
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
CID 102401586

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 57045887) is (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1ccc(Br)cc1)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HXDMKVCFDBATSZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18BrNO3/c20-16-9-6-14(7-10-16)8-11-18(22)21-17(13-24-19(21)23)12-15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 388.26 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57045887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).