2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one

C5H10NO2P — CID 59083036

IUPAC2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one
SMILESCC1OC(=O)C(C)N1P
InChIInChI=1S/C5H10NO2P/c1-3-5(7)8-4(2)6(3)9/h3-4H,9H2,1-2H3
InChIKeyZWOQEIRPSFUMNI-UHFFFAOYSA-N
MW147.11 g/mol
LogP0.37
Rot. Bonds

About 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one

2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one (PubChem CID 59083036) has the molecular formula C5H10NO2P and a molecular weight of 147.11 g/mol. Its IUPAC name is 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one
PubChem CID59083036
Molecular FormulaC5H10NO2P
Molecular Weight147.11 g/mol
Exact Mass147.04
IUPAC Name2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one
SMILESCC1OC(=O)C(C)N1P
InChIInChI=1S/C5H10NO2P/c1-3-5(7)8-4(2)6(3)9/h3-4H,9H2,1-2H3
InChIKeyZWOQEIRPSFUMNI-UHFFFAOYSA-N
XLogP0.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.11
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
CID 11138067
benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10198836
(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one
CID 161481341
2,4-dimethyl-1,2-oxazolidin-5-one
CID 59994630
(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 161163194
(4S,5R,6R)-3,5-diamino-4-hydroxy-6-methyloxan-2-one
CID 163587675

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one?
The IUPAC name of 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one (CID 59083036) is 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one?
The canonical SMILES for 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one is CC1OC(=O)C(C)N1P.
What is the InChIKey of 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one?
The InChIKey is ZWOQEIRPSFUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2P/c1-3-5(7)8-4(2)6(3)9/h3-4H,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one?
2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one has a molecular weight of 147.11 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-phosphanyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 59083036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).