methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite

C4H8NO5P — CID 174430013

IUPACmethyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite
SMILESCOP(O)ON1CCOC1=O
InChIInChI=1S/C4H8NO5P/c1-8-11(7)10-5-2-3-9-4(5)6/h7H,2-3H2,1H3
InChIKeyNGXHLQPKVHYUGB-UHFFFAOYSA-N
MW181.08 g/mol
LogP0.24
Rot. Bonds3

About methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite

methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite (PubChem CID 174430013) has the molecular formula C4H8NO5P and a molecular weight of 181.08 g/mol. Its IUPAC name is methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite.

Molecular Properties

Compound Namemethyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite
PubChem CID174430013
Molecular FormulaC4H8NO5P
Molecular Weight181.08 g/mol
Exact Mass181.01
IUPAC Namemethyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite
SMILESCOP(O)ON1CCOC1=O
InChIInChI=1S/C4H8NO5P/c1-8-11(7)10-5-2-3-9-4(5)6/h7H,2-3H2,1H3
InChIKeyNGXHLQPKVHYUGB-UHFFFAOYSA-N
XLogP0.24
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite?
The IUPAC name of methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite (CID 174430013) is methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite.
What is the SMILES notation for methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite?
The canonical SMILES for methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite is COP(O)ON1CCOC1=O.
What is the InChIKey of methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite?
The InChIKey is NGXHLQPKVHYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO5P/c1-8-11(7)10-5-2-3-9-4(5)6/h7H,2-3H2,1H3.
What are the key properties of methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite?
methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite has a molecular weight of 181.08 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-oxo-1,3-oxazolidin-3-yl) hydrogen phosphite is sourced from PubChem (CID 174430013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).