[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate

About [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate (PubChem CID 91242343) has the molecular formula C21H19FN6O7S and a molecular weight of 518.48 g/mol. Its IUPAC name is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate.

Molecular Properties

Compound Name	[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate
PubChem CID	91242343
Molecular Formula	C21H19FN6O7S
Molecular Weight	518.48 g/mol
Exact Mass	518.10
IUPAC Name	[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate
SMILES	O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=C[C@@H](COS(=O)(=O)O)ON3)nc2)c(F)c1
InChI	InChI=1S/C21H19FN6O7S/c22-18-7-14(28-11-16(34-21(28)29)10-27-6-5-24-26-27)2-3-17(18)13-1-4-19(23-9-13)20-8-15(35-25-20)12-33-36(30,31)32/h1-9,15-16,25H,10-12H2,(H,30,31,32)/t15-,16-/m0/s1
InChIKey	DKDOYULSJXMKPM-HOTGVXAUSA-N
XLogP	1.57
TPSA	158.00 Å²
H-Bond Donors	2
H-Bond Acceptors	11
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.48
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate?

The IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate (CID 91242343) is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate.

What is the SMILES notation for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate?

The canonical SMILES for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=C[C@@H](COS(=O)(=O)O)ON3)nc2)c(F)c1.

What is the InChIKey of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate?

The InChIKey is DKDOYULSJXMKPM-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H19FN6O7S/c22-18-7-14(28-11-16(34-21(28)29)10-27-6-5-24-26-27)2-3-17(18)13-1-4-19(23-9-13)20-8-15(35-25-20)12-33-36(30,31)32/h1-9,15-16,25H,10-12H2,(H,30,31,32)/t15-,16-/m0/s1.

What are the key properties of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate?

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate has a molecular weight of 518.48 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl hydrogen sulfate is sourced from PubChem (CID 91242343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).