[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate

C22H25FN4O6S — CID 71030717

IUPAC[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O6S/c1-14(24)21(28)32-13-17-12-27(22(29)33-17)16-3-4-18(19(23)10-16)15-2-5-20(25-11-15)26-6-8-34(30,31)9-7-26/h2-5,10-11,14,17H,6-9,12-13,24H2,1H3/t14-,17-/m1/s1
InChIKeyQZVZOSCCCHAVSZ-RHSMWYFYSA-N
MW492.53 g/mol
LogP1.34
Rot. Bonds6

About [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate

[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate (PubChem CID 71030717) has the molecular formula C22H25FN4O6S and a molecular weight of 492.53 g/mol. Its IUPAC name is [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
PubChem CID71030717
Molecular FormulaC22H25FN4O6S
Molecular Weight492.53 g/mol
Exact Mass492.15
IUPAC Name[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O6S/c1-14(24)21(28)32-13-17-12-27(22(29)33-17)16-3-4-18(19(23)10-16)15-2-5-20(25-11-15)26-6-8-34(30,31)9-7-26/h2-5,10-11,14,17H,6-9,12-13,24H2,1H3/t14-,17-/m1/s1
InChIKeyQZVZOSCCCHAVSZ-RHSMWYFYSA-N
XLogP1.34
TPSA132.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate with MolForge

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Related Compounds

[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-aminopropanoate
CID 11467041
[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-amino-3-methylbutanoate
CID 58917767
[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
(2S)-2-[3-[3-fluoro-4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461310
[(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11272471
[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 56928410
[(2S)-1-[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 59515984
bis[[(5R)-3-[3-fluoro-4-[6-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] carbonate
CID 121378684
N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938793
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
[(5R)-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-amino-3-methylbutanoate;2,2,2-trifluoroacetic acid
CID 11786591
2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461303

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate?
The IUPAC name of [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate (CID 71030717) is [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate.
What is the SMILES notation for [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate?
The canonical SMILES for [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate?
The InChIKey is QZVZOSCCCHAVSZ-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H25FN4O6S/c1-14(24)21(28)32-13-17-12-27(22(29)33-17)16-3-4-18(19(23)10-16)15-2-5-20(25-11-15)26-6-8-34(30,31)9-7-26/h2-5,10-11,14,17H,6-9,12-13,24H2,1H3/t14-,17-/m1/s1.
What are the key properties of [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate?
[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate has a molecular weight of 492.53 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate is sourced from PubChem (CID 71030717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).