(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine

C21H19NOS — CID 134938194

IUPAC(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine
SMILESc1ccc(S[C@@H]2C[C@H](c3ccccc3)N(c3ccccc3)O2)cc1
InChIInChI=1S/C21H19NOS/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)23-22(20)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21-/m1/s1
InChIKeyMYNTVRODWYPVBT-NHCUHLMSSA-N
MW333.46 g/mol
LogP5.69
Rot. Bonds4

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

(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine (PubChem CID 134938194) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine
PubChem CID134938194
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine
SMILESc1ccc(S[C@@H]2C[C@H](c3ccccc3)N(c3ccccc3)O2)cc1
InChIInChI=1S/C21H19NOS/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)23-22(20)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21-/m1/s1
InChIKeyMYNTVRODWYPVBT-NHCUHLMSSA-N
XLogP5.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine with MolForge

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Related Compounds

(3R,5S)-5-ethynyl-2,3-diphenyl-1,2-oxazolidine
CID 40522680
3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
CID 162534654
2-phenyl-3-thiophen-3-yl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
CID 162534662
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone
CID 10732763
(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene
CID 164681206
(3R,5R)-2,5-diphenyl-1,2-oxazolidin-3-amine
CID 139232503
2,3,4,5-tetraphenyl-1,2-oxazolidine
CID 23270967
(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
CID 11558094
(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile
CID 102077139
4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 2768898

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine?
The IUPAC name of (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine (CID 134938194) is (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine is c1ccc(S[C@@H]2C[C@H](c3ccccc3)N(c3ccccc3)O2)cc1.
What is the InChIKey of (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine?
The InChIKey is MYNTVRODWYPVBT-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H19NOS/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)23-22(20)18-12-6-2-7-13-18/h1-15,20-21H,16H2/t20-,21-/m1/s1.
What are the key properties of (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine?
(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine has a molecular weight of 333.46 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine is sourced from PubChem (CID 134938194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).