2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine

C20H26NO4P — CID 15180764

IUPAC2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)C1CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C20H26NO4P/c1-3-23-26(22,24-4-2)20-15-19(18-13-9-6-10-14-18)21(25-20)16-17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKeyNEENDKBLXQMKGI-UHFFFAOYSA-N
MW375.41 g/mol
LogP5.16
Rot. Bonds8

About 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine

2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine (PubChem CID 15180764) has the molecular formula C20H26NO4P and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
PubChem CID15180764
Molecular FormulaC20H26NO4P
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)C1CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C20H26NO4P/c1-3-23-26(22,24-4-2)20-15-19(18-13-9-6-10-14-18)21(25-20)16-17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3
InChIKeyNEENDKBLXQMKGI-UHFFFAOYSA-N
XLogP5.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
CID 11034663
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767
1-benzyl-2-diethoxyphosphorylpyrrolidine
CID 12765070
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 132581718
5-diethoxyphosphoryl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 3848592
2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone
CID 164604037
(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine
CID 72946058
3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one
CID 75983023
ethyl 1-benzyl-2-oxo-5-phenylpyrrolidine-3-carboxylate
CID 15314819
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine?
The IUPAC name of 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine (CID 15180764) is 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine is CCOP(=O)(OCC)C1CC(c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine?
The InChIKey is NEENDKBLXQMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO4P/c1-3-23-26(22,24-4-2)20-15-19(18-13-9-6-10-14-18)21(25-20)16-17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3.
What are the key properties of 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine?
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine has a molecular weight of 375.41 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 15180764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).