[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid

C13H14F2N3O4P — CID 89082996

IUPAC[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
SMILESO=C1O[C@@H](CPO)CN1c1cc(F)c(N2C=NOCC2)c(F)c1
InChIInChI=1S/C13H14F2N3O4P/c14-10-3-8(18-5-9(6-23-20)22-13(18)19)4-11(15)12(10)17-1-2-21-16-7-17/h3-4,7,9,20,23H,1-2,5-6H2/t9-/m1/s1
InChIKeyXZFAJPZZWOHISL-SECBINFHSA-N
MW345.24 g/mol
LogP1.66
Rot. Bonds4

About [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid

[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid (PubChem CID 89082996) has the molecular formula C13H14F2N3O4P and a molecular weight of 345.24 g/mol. Its IUPAC name is [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid.

Molecular Properties

Compound Name[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
PubChem CID89082996
Molecular FormulaC13H14F2N3O4P
Molecular Weight345.24 g/mol
Exact Mass345.07
IUPAC Name[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
SMILESO=C1O[C@@H](CPO)CN1c1cc(F)c(N2C=NOCC2)c(F)c1
InChIInChI=1S/C13H14F2N3O4P/c14-10-3-8(18-5-9(6-23-20)22-13(18)19)4-11(15)12(10)17-1-2-21-16-7-17/h3-4,7,9,20,23H,1-2,5-6H2/t9-/m1/s1
InChIKeyXZFAJPZZWOHISL-SECBINFHSA-N
XLogP1.66
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58361721
3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 76734339
(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 58361736
N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75096545
3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;O-methyl methanethioate
CID 143963383
(5S)-3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 59953051
(5S)-3-[3,5-difluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10267740
N-[[(5S)-3-[4-[6-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66555973
N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75095689
N-acetyl-acetyloxy-N-[[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 118331324
3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 175116474
O-methyl N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 75095692

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid?
The IUPAC name of [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid (CID 89082996) is [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid.
What is the SMILES notation for [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid?
The canonical SMILES for [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid is O=C1O[C@@H](CPO)CN1c1cc(F)c(N2C=NOCC2)c(F)c1.
What is the InChIKey of [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid?
The InChIKey is XZFAJPZZWOHISL-SECBINFHSA-N. The full InChI is InChI=1S/C13H14F2N3O4P/c14-10-3-8(18-5-9(6-23-20)22-13(18)19)4-11(15)12(10)17-1-2-21-16-7-17/h3-4,7,9,20,23H,1-2,5-6H2/t9-/m1/s1.
What are the key properties of [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid?
[(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid has a molecular weight of 345.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid is sourced from PubChem (CID 89082996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).