(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one

C28H23NO2 — CID 10763812

IUPAC(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H23NO2/c30-27-29(21-22-13-5-1-6-14-22)26(23-15-7-2-8-16-23)28(31-27,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26H,21H2/t26-/m1/s1
InChIKeyONFVPSFXXUPSMV-AREMUKBSSA-N
MW405.50 g/mol
LogP6.32
Rot. Bonds5

About (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one

(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one (PubChem CID 10763812) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
PubChem CID10763812
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H23NO2/c30-27-29(21-22-13-5-1-6-14-22)26(23-15-7-2-8-16-23)28(31-27,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26H,21H2/t26-/m1/s1
InChIKeyONFVPSFXXUPSMV-AREMUKBSSA-N
XLogP6.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one (CID 10763812) is (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2)(c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The InChIKey is ONFVPSFXXUPSMV-AREMUKBSSA-N. The full InChI is InChI=1S/C28H23NO2/c30-27-29(21-22-13-5-1-6-14-22)26(23-15-7-2-8-16-23)28(31-27,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26H,21H2/t26-/m1/s1.
What are the key properties of (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one?
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one has a molecular weight of 405.50 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10763812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).