[(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

C15H15FN7O6PS — CID 71542792

About [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

[(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (PubChem CID 71542792) has the molecular formula C15H15FN7O6PS and a molecular weight of 471.37 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• PubChem CID: 71542792
• Molecular Formula: C15H15FN7O6PS
• Molecular Weight: 471.37 g/mol
• Exact Mass: 471.05
• IUPAC Name: [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• SMILES: Cn1nnc(Nc2ncc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)s2)n1
• InChI: InChI=1S/C15H15FN7O6PS/c1-22-20-13(19-21-22)18-14-17-5-12(31-14)10-3-2-8(4-11(10)16)23-6-9(29-15(23)24)7-28-30(25,26)27/h2-5,9H,6-7H2,1H3,(H,17,18,20)(H2,25,26,27)/t9-/m1/s1
• InChIKey: OUELTEPNMIKPFW-SECBINFHSA-N
• XLogP: 1.65
• TPSA: 164.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.37
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The IUPAC name of [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (CID 71542792) is [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The canonical SMILES for [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is Cn1nnc(Nc2ncc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)s2)n1.

What is the InChIKey of [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The InChIKey is OUELTEPNMIKPFW-SECBINFHSA-N. The full InChI is InChI=1S/C15H15FN7O6PS/c1-22-20-13(19-21-22)18-14-17-5-12(31-14)10-3-2-8(4-11(10)16)23-6-9(29-15(23)24)7-28-30(25,26)27/h2-5,9H,6-7H2,1H3,(H,17,18,20)(H2,25,26,27)/t9-/m1/s1.

What are the key properties of [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

[(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate has a molecular weight of 471.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[3-fluoro-4-[2-[(2-methyltetrazol-5-yl)amino]-1,3-thiazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 71542792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).