5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one

C11H14NO3P — CID 58994001

IUPAC5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C2CNC(=O)O2)cc1COP
InChIInChI=1S/C11H14NO3P/c1-7-2-3-8(4-9(7)6-14-16)10-5-12-11(13)15-10/h2-4,10H,5-6,16H2,1H3,(H,12,13)
InChIKeyCFQVLIYYXUVRMM-UHFFFAOYSA-N
MW239.21 g/mol
LogP2.08
Rot. Bonds3

About 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one

5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58994001) has the molecular formula C11H14NO3P and a molecular weight of 239.21 g/mol. Its IUPAC name is 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID58994001
Molecular FormulaC11H14NO3P
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C2CNC(=O)O2)cc1COP
InChIInChI=1S/C11H14NO3P/c1-7-2-3-8(4-9(7)6-14-16)10-5-12-11(13)15-10/h2-4,10H,5-6,16H2,1H3,(H,12,13)
InChIKeyCFQVLIYYXUVRMM-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one (CID 58994001) is 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one is Cc1ccc(C2CNC(=O)O2)cc1COP.
What is the InChIKey of 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CFQVLIYYXUVRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO3P/c1-7-2-3-8(4-9(7)6-14-16)10-5-12-11(13)15-10/h2-4,10H,5-6,16H2,1H3,(H,12,13).
What are the key properties of 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one?
5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 239.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-3-(phosphanyloxymethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58994001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).