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

C21H17NOS — CID 139721596

IUPAC(4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione
SMILESS=C1N[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H17NOS/c24-20-22-19(16-10-4-1-5-11-16)21(23-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H,22,24)/t19-/m1/s1
InChIKeyVOPSZVOUEITNLA-LJQANCHMSA-N
MW331.44 g/mol
LogP4.58
Rot. Bonds3

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

(4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione (PubChem CID 139721596) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione
PubChem CID139721596
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name(4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione
SMILESS=C1N[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H17NOS/c24-20-22-19(16-10-4-1-5-11-16)21(23-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H,22,24)/t19-/m1/s1
InChIKeyVOPSZVOUEITNLA-LJQANCHMSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-5-methyl-5-(1-methylpyrrol-2-yl)-4-phenyl-1,3-oxazolidine-2-thione
CID 6543454
(3S)-2,2,3-triphenyl-1,6,9-trioxa-4-aza-5-boranuidaspiro[4.4]nonane
CID 91667235
4-ethenyl-5-methyl-5-phenyl-1,3-oxazolidine-2-thione
CID 4307998
CID 88517637
CID 88517637
(7R,11R)-7,11-diphenyl-9-sulfanylidene-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5-trione
CID 9003883
(4R)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11300512
(4R,5S)-5-(4-chlorophenyl)-4-methyl-4-phenylimidazolidine-2-thione
CID 87581526
6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 2850154
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
3-methyl-2,3-diphenylpyrrolidine
CID 62722920

Frequently Asked Questions

What is the IUPAC name of (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione?
The IUPAC name of (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione (CID 139721596) is (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione is S=C1N[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione?
The InChIKey is VOPSZVOUEITNLA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17NOS/c24-20-22-19(16-10-4-1-5-11-16)21(23-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H,22,24)/t19-/m1/s1.
What are the key properties of (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione?
(4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione has a molecular weight of 331.44 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,5,5-triphenyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 139721596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).