(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione

C34H28N2O6 — CID 10482928

IUPAC(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
SMILESO=C1OC[C@@H](c2ccccc2)N1C(=O)[C@@H](c1ccccc1)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28N2O6/c37-31(35-27(21-41-33(35)39)23-13-5-1-6-14-23)29(25-17-9-3-10-18-25)30(26-19-11-4-12-20-26)32(38)36-28(22-42-34(36)40)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/t27-,28-,29-,30-/m0/s1
InChIKeyLJNPYARZPDZNTD-KRCBVYEFSA-N
MW560.61 g/mol
LogP5.99
Rot. Bonds7

About (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione

(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione (PubChem CID 10482928) has the molecular formula C34H28N2O6 and a molecular weight of 560.61 g/mol. Its IUPAC name is (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione.

Molecular Properties

Compound Name(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
PubChem CID10482928
Molecular FormulaC34H28N2O6
Molecular Weight560.61 g/mol
Exact Mass560.19
IUPAC Name(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
SMILESO=C1OC[C@@H](c2ccccc2)N1C(=O)[C@@H](c1ccccc1)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28N2O6/c37-31(35-27(21-41-33(35)39)23-13-5-1-6-14-23)29(25-17-9-3-10-18-25)30(26-19-11-4-12-20-26)32(38)36-28(22-42-34(36)40)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/t27-,28-,29-,30-/m0/s1
InChIKeyLJNPYARZPDZNTD-KRCBVYEFSA-N
XLogP5.99
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4S)-3-[(2S,3R)-2-bromo-3-phenylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10023128
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(3S)-4-oxo-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-phenylbutanenitrile
CID 170640420
(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-(4-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102063274
(4R)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(4S)-4-phenyl-3-[(2R)-2-[(1S)-1-phenylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 126708215
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-3-[(2R,3S)-2-bromo-3-(4-tert-butylphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15655656
(4R)-3-[(2R,3R)-2-bromo-3-(2-bromophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102063279

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione?
The IUPAC name of (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione (CID 10482928) is (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione.
What is the SMILES notation for (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione?
The canonical SMILES for (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione is O=C1OC[C@@H](c2ccccc2)N1C(=O)[C@@H](c1ccccc1)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione?
The InChIKey is LJNPYARZPDZNTD-KRCBVYEFSA-N. The full InChI is InChI=1S/C34H28N2O6/c37-31(35-27(21-41-33(35)39)23-13-5-1-6-14-23)29(25-17-9-3-10-18-25)30(26-19-11-4-12-20-26)32(38)36-28(22-42-34(36)40)24-15-7-2-8-16-24/h1-20,27-30H,21-22H2/t27-,28-,29-,30-/m0/s1.
What are the key properties of (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione?
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione has a molecular weight of 560.61 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione is sourced from PubChem (CID 10482928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).