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

C21H22NO2P — CID 10784111

IUPAC(2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@@](=O)(Cc2ccc3ccccc3c2)N1C
InChIInChI=1S/C21H22NO2P/c1-16-21(19-9-4-3-5-10-19)24-25(23,22(16)2)15-17-12-13-18-8-6-7-11-20(18)14-17/h3-14,16,21H,15H2,1-2H3/t16-,21-,25-/m0/s1
InChIKeyYAKDHQIDXLUMHU-YVPSIOQSSA-N
MW351.39 g/mol
LogP5.62
Rot. Bonds3

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

(2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 10784111) has the molecular formula C21H22NO2P and a molecular weight of 351.39 g/mol. Its IUPAC name is (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name(2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID10784111
Molecular FormulaC21H22NO2P
Molecular Weight351.39 g/mol
Exact Mass351.14
IUPAC Name(2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@@](=O)(Cc2ccc3ccccc3c2)N1C
InChIInChI=1S/C21H22NO2P/c1-16-21(19-9-4-3-5-10-19)24-25(23,22(16)2)15-17-12-13-18-8-6-7-11-20(18)14-17/h3-14,16,21H,15H2,1-2H3/t16-,21-,25-/m0/s1
InChIKeyYAKDHQIDXLUMHU-YVPSIOQSSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.39
LogP ≤ 55.62
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)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 10784111) is (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is C[C@H]1[C@@H](c2ccccc2)O[P@@](=O)(Cc2ccc3ccccc3c2)N1C.
What is the InChIKey of (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is YAKDHQIDXLUMHU-YVPSIOQSSA-N. The full InChI is InChI=1S/C21H22NO2P/c1-16-21(19-9-4-3-5-10-19)24-25(23,22(16)2)15-17-12-13-18-8-6-7-11-20(18)14-17/h3-14,16,21H,15H2,1-2H3/t16-,21-,25-/m0/s1.
What are the key properties of (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
(2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 351.39 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-3,4-dimethyl-2-(naphthalen-2-ylmethyl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 10784111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).