(4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one

C18H15Br2NO4 — CID 102063279

IUPAC(4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1C(=O)[C@H](Br)[C@H](O)c1ccccc1Br
InChIInChI=1S/C18H15Br2NO4/c19-13-9-5-4-8-12(13)16(22)15(20)17(23)21-14(10-25-18(21)24)11-6-2-1-3-7-11/h1-9,14-16,22H,10H2/t14-,15+,16+/m0/s1
InChIKeySFRTZHFECLELDO-ARFHVFGLSA-N
MW469.13 g/mol
LogP3.97
Rot. Bonds4

About (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102063279) has the molecular formula C18H15Br2NO4 and a molecular weight of 469.13 g/mol. Its IUPAC name is (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID102063279
Molecular FormulaC18H15Br2NO4
Molecular Weight469.13 g/mol
Exact Mass466.94
IUPAC Name(4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1C(=O)[C@H](Br)[C@H](O)c1ccccc1Br
InChIInChI=1S/C18H15Br2NO4/c19-13-9-5-4-8-12(13)16(22)15(20)17(23)21-14(10-25-18(21)24)11-6-2-1-3-7-11/h1-9,14-16,22H,10H2/t14-,15+,16+/m0/s1
InChIKeySFRTZHFECLELDO-ARFHVFGLSA-N
XLogP3.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.13
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-[(2S,3R)-2-bromo-3-(4-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102063274
(4S)-3-[(2S,3S)-2-bromo-3-hydroxy-3-(4-phenylphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102063290
(4R)-3-[(2S,3R)-2-bromo-3-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102063273
(4S)-3-[(2R,3S)-2-bromo-3-(4-tert-butylphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15655656
(4S)-3-[(2S,3R)-2-bromo-3-phenylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10023128
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4R)-3-[(2R,3S)-2-bromo-3-(4-bromophenyl)-4-cyclopropylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 69371552
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
(4S)-3-[(2S,3S)-2-bromo-3-(4-methoxy-2-methylphenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10961002
(4S)-3-[(2S)-2-[(1R)-1-hydroxyethyl]hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134837890
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102063279) is (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1C(=O)[C@H](Br)[C@H](O)c1ccccc1Br.
What is the InChIKey of (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SFRTZHFECLELDO-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H15Br2NO4/c19-13-9-5-4-8-12(13)16(22)15(20)17(23)21-14(10-25-18(21)24)11-6-2-1-3-7-11/h1-9,14-16,22H,10H2/t14-,15+,16+/m0/s1.
What are the key properties of (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 469.13 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102063279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).