(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C17H20NO2P — CID 10756696

IUPAC(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@@](=O)(Cc2ccccc2)N1C
InChIInChI=1S/C17H20NO2P/c1-14-17(16-11-7-4-8-12-16)20-21(19,18(14)2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3/t14-,17-,21-/m0/s1
InChIKeyHSYYOOOMAJSUTR-LFRPXUGBSA-N
MW301.33 g/mol
LogP4.47
Rot. Bonds3

About (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 10756696) has the molecular formula C17H20NO2P and a molecular weight of 301.33 g/mol. Its IUPAC name is (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID10756696
Molecular FormulaC17H20NO2P
Molecular Weight301.33 g/mol
Exact Mass301.12
IUPAC Name(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@@](=O)(Cc2ccccc2)N1C
InChIInChI=1S/C17H20NO2P/c1-14-17(16-11-7-4-8-12-16)20-21(19,18(14)2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3/t14-,17-,21-/m0/s1
InChIKeyHSYYOOOMAJSUTR-LFRPXUGBSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.47
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,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 10756696) is (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is C[C@H]1[C@@H](c2ccccc2)O[P@@](=O)(Cc2ccccc2)N1C.
What is the InChIKey of (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is HSYYOOOMAJSUTR-LFRPXUGBSA-N. The full InChI is InChI=1S/C17H20NO2P/c1-14-17(16-11-7-4-8-12-16)20-21(19,18(14)2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3/t14-,17-,21-/m0/s1.
What are the key properties of (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 301.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 10756696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).