3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one

C19H20NO4P — CID 134944343

IUPAC3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one
SMILESCCC(C(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20NO4P/c1-2-17(18(21)20-13-14-24-19(20)22)25(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyGVTXWQIYINNNQP-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.76
Rot. Bonds5

About 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one

3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 134944343) has the molecular formula C19H20NO4P and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID134944343
Molecular FormulaC19H20NO4P
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Name3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one
SMILESCCC(C(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20NO4P/c1-2-17(18(21)20-13-14-24-19(20)22)25(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyGVTXWQIYINNNQP-UHFFFAOYSA-N
XLogP2.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-3-diphenylphosphoryl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 101583125
3-(3-Diphenylphosphoryl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 102287464
3-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982
3-[(3R)-3-diphenylphosphorylbutanoyl]-1,3-oxazolidin-2-one
CID 139256768
3-[(3S)-3-diphenylphosphoryl-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 139256769
3-[(3R)-3-diphenylphosphoryl-5-methylhexanoyl]-1,3-oxazolidin-2-one
CID 139256770
3-[(3R)-3-diphenylphosphorylnonanoyl]-1,3-oxazolidin-2-one
CID 139256771
2-Pyrrolidinone, 1-[(diphenylphosphinyl)methyl]-
CID 10086097
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
3-Methyl-5-[2-(triphenyl-lambda5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
CID 59351917
3-Ethyl-5-[2-(triphenyl-lambda5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
CID 118547552
3-(2-Diphenylphosphanylethyl)-1,3-oxazolidin-2-one
CID 130297944

Frequently Asked Questions

What is the IUPAC name of 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one (CID 134944343) is 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one is CCC(C(=O)N1CCOC1=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is GVTXWQIYINNNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO4P/c1-2-17(18(21)20-13-14-24-19(20)22)25(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3.
What are the key properties of 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one?
3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 357.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134944343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).