(2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine

C16H18ClNOSi — CID 53470558

IUPAC(2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine
SMILESC[C@H]1C(c2ccccc2)O[Si@](Cl)(c2ccccc2)N1C
InChIInChI=1S/C16H18ClNOSi/c1-13-16(14-9-5-3-6-10-14)19-20(17,18(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16?,20-/m0/s1
InChIKeyNSZWPVQENFHZEA-SCGJFBFUSA-N
MW303.87 g/mol
LogP3.16
Rot. Bonds2

About (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine

(2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine (PubChem CID 53470558) has the molecular formula C16H18ClNOSi and a molecular weight of 303.87 g/mol. Its IUPAC name is (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine.

Molecular Properties

Compound Name(2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine
PubChem CID53470558
Molecular FormulaC16H18ClNOSi
Molecular Weight303.87 g/mol
Exact Mass303.08
IUPAC Name(2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine
SMILESC[C@H]1C(c2ccccc2)O[Si@](Cl)(c2ccccc2)N1C
InChIInChI=1S/C16H18ClNOSi/c1-13-16(14-9-5-3-6-10-14)19-20(17,18(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16?,20-/m0/s1
InChIKeyNSZWPVQENFHZEA-SCGJFBFUSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.87
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine?
The IUPAC name of (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine (CID 53470558) is (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine.
What is the SMILES notation for (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine?
The canonical SMILES for (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine is C[C@H]1C(c2ccccc2)O[Si@](Cl)(c2ccccc2)N1C.
What is the InChIKey of (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine?
The InChIKey is NSZWPVQENFHZEA-SCGJFBFUSA-N. The full InChI is InChI=1S/C16H18ClNOSi/c1-13-16(14-9-5-3-6-10-14)19-20(17,18(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16?,20-/m0/s1.
What are the key properties of (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine?
(2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine has a molecular weight of 303.87 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-chloro-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazasilolidine is sourced from PubChem (CID 53470558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).