4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one

C10H18NO5P — CID 90840200

IUPAC4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one
SMILESCCOP(=O)(CC=CC1COC(=O)N1)OCC
InChIInChI=1S/C10H18NO5P/c1-3-15-17(13,16-4-2)7-5-6-9-8-14-10(12)11-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,11,12)
InChIKeySKTXNKIIDXVXMN-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.92
Rot. Bonds7

About 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one

4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one (PubChem CID 90840200) has the molecular formula C10H18NO5P and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one
PubChem CID90840200
Molecular FormulaC10H18NO5P
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one
SMILESCCOP(=O)(CC=CC1COC(=O)N1)OCC
InChIInChI=1S/C10H18NO5P/c1-3-15-17(13,16-4-2)7-5-6-9-8-14-10(12)11-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,11,12)
InChIKeySKTXNKIIDXVXMN-UHFFFAOYSA-N
XLogP1.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one (CID 90840200) is 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one is CCOP(=O)(CC=CC1COC(=O)N1)OCC.
What is the InChIKey of 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one?
The InChIKey is SKTXNKIIDXVXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO5P/c1-3-15-17(13,16-4-2)7-5-6-9-8-14-10(12)11-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,11,12).
What are the key properties of 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one?
4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one has a molecular weight of 263.23 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90840200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).