[(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid

About [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid

[(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid (PubChem CID 90363171) has the molecular formula C22H22FN4O5P and a molecular weight of 472.41 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid.

Molecular Properties

Compound Name	[(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid
PubChem CID	90363171
Molecular Formula	C22H22FN4O5P
Molecular Weight	472.41 g/mol
Exact Mass	472.13
IUPAC Name	[(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid
SMILES	CP(=O)(O)OC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3ncc[nH]3)C4)c(F)c2)C(=O)O1
InChI	InChI=1S/C22H22FN4O5P/c1-33(29,30)31-13-18-12-27(22(28)32-18)17-4-5-19(20(23)9-17)14-2-3-15-10-26(11-16(15)8-14)21-24-6-7-25-21/h2-9,18H,10-13H2,1H3,(H,24,25)(H,29,30)/t18-/m1/s1
InChIKey	MFGXKAJJPDENQL-GOSISDBHSA-N
XLogP	3.89
TPSA	107.99 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.41
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid?

The IUPAC name of [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid (CID 90363171) is [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid.

What is the SMILES notation for [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid?

The canonical SMILES for [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid is CP(=O)(O)OC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3ncc[nH]3)C4)c(F)c2)C(=O)O1.

What is the InChIKey of [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid?

The InChIKey is MFGXKAJJPDENQL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22FN4O5P/c1-33(29,30)31-13-18-12-27(22(28)32-18)17-4-5-19(20(23)9-17)14-2-3-15-10-26(11-16(15)8-14)21-24-6-7-25-21/h2-9,18H,10-13H2,1H3,(H,24,25)(H,29,30)/t18-/m1/s1.

What are the key properties of [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid?

[(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid has a molecular weight of 472.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[3-fluoro-4-[2-(1H-imidazol-2-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid is sourced from PubChem (CID 90363171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).