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

C22H21NO — CID 10935970

IUPAC(3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine
SMILESc1ccc(CN2O[C@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO/c1-4-10-18(11-5-1)17-23-21(19-12-6-2-7-13-19)16-22(24-23)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2/t21-,22+/m1/s1
InChIKeyWXPIXSQXEIZFLS-YADHBBJMSA-N
MW315.42 g/mol
LogP5.31
Rot. Bonds4

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

(3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine (PubChem CID 10935970) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine
PubChem CID10935970
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine
SMILESc1ccc(CN2O[C@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO/c1-4-10-18(11-5-1)17-23-21(19-12-6-2-7-13-19)16-22(24-23)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2/t21-,22+/m1/s1
InChIKeyWXPIXSQXEIZFLS-YADHBBJMSA-N
XLogP5.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6712809
(2-Methyl-3,5-diphenyl-2,3-dihydro-4-isoxazolyl)methanol
CID 15945698
3-(2-Benzhydryloxy-ethylidene)-8-benzyl-8-aza-bicyclo[3.2.1]octane
CID 44371851
(1S,2R,4R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 704394
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CID 4367643
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
(1S,5R)-3-(2-benzhydryloxyethylidene)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 11223581
(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 71458445
(2R,6S)-1-allyl-N-benzyloxy-2,6-diphenyl-piperidin-4-imine
CID 71458655
3,3-Diphenyl-2-(1-phenylethyl)-1,2-oxaziridine
CID 336231
(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine
CID 6712808
N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
CID 15880805

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine (CID 10935970) is (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine is c1ccc(CN2O[C@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine?
The InChIKey is WXPIXSQXEIZFLS-YADHBBJMSA-N. The full InChI is InChI=1S/C22H21NO/c1-4-10-18(11-5-1)17-23-21(19-12-6-2-7-13-19)16-22(24-23)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2/t21-,22+/m1/s1.
What are the key properties of (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine?
(3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine has a molecular weight of 315.42 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-2-benzyl-3,5-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 10935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).