methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate

C25H29N2O8P — CID 88632622

IUPACmethyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate
SMILESCCOP(=O)(OCC)C(C(=O)OC)N1CC(N2C(=O)OC(c3ccccc3)C2c2ccccc2)C1=O
InChIInChI=1S/C25H29N2O8P/c1-4-33-36(31,34-5-2)23(24(29)32-3)26-16-19(22(26)28)27-20(17-12-8-6-9-13-17)21(35-25(27)30)18-14-10-7-11-15-18/h6-15,19-21,23H,4-5,16H2,1-3H3
InChIKeyAJSNLSOFXWPNIH-UHFFFAOYSA-N
MW516.49 g/mol
LogP3.90
Rot. Bonds10

About methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate

methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate (PubChem CID 88632622) has the molecular formula C25H29N2O8P and a molecular weight of 516.49 g/mol. Its IUPAC name is methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate
PubChem CID88632622
Molecular FormulaC25H29N2O8P
Molecular Weight516.49 g/mol
Exact Mass516.17
IUPAC Namemethyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate
SMILESCCOP(=O)(OCC)C(C(=O)OC)N1CC(N2C(=O)OC(c3ccccc3)C2c2ccccc2)C1=O
InChIInChI=1S/C25H29N2O8P/c1-4-33-36(31,34-5-2)23(24(29)32-3)26-16-19(22(26)28)27-20(17-12-8-6-9-13-17)21(35-25(27)30)18-14-10-7-11-15-18/h6-15,19-21,23H,4-5,16H2,1-3H3
InChIKeyAJSNLSOFXWPNIH-UHFFFAOYSA-N
XLogP3.90
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate?
The IUPAC name of methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate (CID 88632622) is methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate?
The canonical SMILES for methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate is CCOP(=O)(OCC)C(C(=O)OC)N1CC(N2C(=O)OC(c3ccccc3)C2c2ccccc2)C1=O.
What is the InChIKey of methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate?
The InChIKey is AJSNLSOFXWPNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N2O8P/c1-4-33-36(31,34-5-2)23(24(29)32-3)26-16-19(22(26)28)27-20(17-12-8-6-9-13-17)21(35-25(27)30)18-14-10-7-11-15-18/h6-15,19-21,23H,4-5,16H2,1-3H3.
What are the key properties of methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate?
methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate has a molecular weight of 516.49 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate is sourced from PubChem (CID 88632622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).