(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine

C28H25NO — CID 134925492

IUPAC(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
SMILESc1ccc(CN2[C@H](c3ccccc3)[C@H](c3ccccc3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H25NO/c1-5-13-22(14-6-1)21-29-26(23-15-7-2-8-16-23)27(24-17-9-3-10-18-24)30-28(29)25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,27+,28+/m1/s1
InChIKeyVMXKCRCBEQDUCA-PKTNWEFCSA-N
MW391.51 g/mol
LogP6.70
Rot. Bonds5

About (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine

(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine (PubChem CID 134925492) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
PubChem CID134925492
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
SMILESc1ccc(CN2[C@H](c3ccccc3)[C@H](c3ccccc3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H25NO/c1-5-13-22(14-6-1)21-29-26(23-15-7-2-8-16-23)27(24-17-9-3-10-18-24)30-28(29)25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,27+,28+/m1/s1
InChIKeyVMXKCRCBEQDUCA-PKTNWEFCSA-N
XLogP6.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine?
The IUPAC name of (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine (CID 134925492) is (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine is c1ccc(CN2[C@H](c3ccccc3)[C@H](c3ccccc3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine?
The InChIKey is VMXKCRCBEQDUCA-PKTNWEFCSA-N. The full InChI is InChI=1S/C28H25NO/c1-5-13-22(14-6-1)21-29-26(23-15-7-2-8-16-23)27(24-17-9-3-10-18-24)30-28(29)25-19-11-4-12-20-25/h1-20,26-28H,21H2/t26-,27+,28+/m1/s1.
What are the key properties of (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine?
(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine has a molecular weight of 391.51 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine is sourced from PubChem (CID 134925492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).