(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine

C16H18NOP — CID 12966788

IUPAC(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
SMILESC[C@@H]1[C@H](c2ccccc2)O[P@@](c2ccccc2)N1C
InChIInChI=1S/C16H18NOP/c1-13-16(14-9-5-3-6-10-14)18-19(17(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-,19+/m1/s1
InChIKeyGILFEOIOULSTAS-NRXGSXMXSA-N
MW271.30 g/mol
LogP3.72
Rot. Bonds2

About (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine

(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine (PubChem CID 12966788) has the molecular formula C16H18NOP and a molecular weight of 271.30 g/mol. Its IUPAC name is (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
PubChem CID12966788
Molecular FormulaC16H18NOP
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine
SMILESC[C@@H]1[C@H](c2ccccc2)O[P@@](c2ccccc2)N1C
InChIInChI=1S/C16H18NOP/c1-13-16(14-9-5-3-6-10-14)18-19(17(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-,19+/m1/s1
InChIKeyGILFEOIOULSTAS-NRXGSXMXSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine?
The IUPAC name of (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine (CID 12966788) is (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine?
The canonical SMILES for (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine is C[C@@H]1[C@H](c2ccccc2)O[P@@](c2ccccc2)N1C.
What is the InChIKey of (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine?
The InChIKey is GILFEOIOULSTAS-NRXGSXMXSA-N. The full InChI is InChI=1S/C16H18NOP/c1-13-16(14-9-5-3-6-10-14)18-19(17(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-,19+/m1/s1.
What are the key properties of (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine?
(2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine has a molecular weight of 271.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 12966788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).