(3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine

C25H27NO2 — CID 134847295

IUPAC(3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine
SMILESC[C@@H](c1ccccc1)N1O[C@H](c2ccccc2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C25H27NO2/c1-20(22-13-7-3-8-14-22)26-24(19-27-18-21-11-5-2-6-12-21)17-25(28-26)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3/t20-,24+,25-/m0/s1
InChIKeyOITARCOOVHQSJY-AMDXRBSFSA-N
MW373.50 g/mol
LogP5.71
Rot. Bonds7

About (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine

(3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine (PubChem CID 134847295) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine
PubChem CID134847295
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine
SMILESC[C@@H](c1ccccc1)N1O[C@H](c2ccccc2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C25H27NO2/c1-20(22-13-7-3-8-14-22)26-24(19-27-18-21-11-5-2-6-12-21)17-25(28-26)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3/t20-,24+,25-/m0/s1
InChIKeyOITARCOOVHQSJY-AMDXRBSFSA-N
XLogP5.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine with MolForge

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Related Compounds

3-(2-Benzhydryloxy-ethylidene)-8-benzyl-8-aza-bicyclo[3.2.1]octane
CID 44371851
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
1-Cyclohexyl-3-(diphenylmethoxy)pyrrolidine
CID 3025360
1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
CID 48180
Pyrrolidine, 1-benzyl-3-(diphenylmethoxy)-, perchlorate
CID 3025249
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
(1S,5R)-3-(2-benzhydryloxyethylidene)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 11223581
(4R,5S)-4-phenyl-5-phenylmethoxy-3-propan-2-yl-1,3-oxazinane
CID 44185938
(2S)-1-benzyl-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
CID 44275981
Pyrrolidine, 3-(phenylmethoxy)-2-(phenylmethoxy)methyl-1-(phenylmethyl)-, (2R,3S)-
CID 90471286
Oxazolidine, 2-(4-fluorophenyl)-3,4-dimethyl-5-phenyl-, (2R,4S,5S)-
CID 12192955
(2S,4S,5S)-2-(4-fluorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 12192956

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine?
The IUPAC name of (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine (CID 134847295) is (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine is C[C@@H](c1ccccc1)N1O[C@H](c2ccccc2)C[C@@H]1COCc1ccccc1.
What is the InChIKey of (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine?
The InChIKey is OITARCOOVHQSJY-AMDXRBSFSA-N. The full InChI is InChI=1S/C25H27NO2/c1-20(22-13-7-3-8-14-22)26-24(19-27-18-21-11-5-2-6-12-21)17-25(28-26)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3/t20-,24+,25-/m0/s1.
What are the key properties of (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine?
(3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine has a molecular weight of 373.50 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-phenyl-2-[(1S)-1-phenylethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidine is sourced from PubChem (CID 134847295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).