[(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium

C18H18FN7O5P+ — CID 90350782

About [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium

[(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium (PubChem CID 90350782) has the molecular formula C18H18FN7O5P+ and a molecular weight of 462.36 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium
• PubChem CID: 90350782
• Molecular Formula: C18H18FN7O5P+
• Molecular Weight: 462.36 g/mol
• Exact Mass: 462.11
• IUPAC Name: [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium
• SMILES: CN(c1ccc(-c2ccc(N3C[C@H](CO[P+](=O)O)OC3=O)cc2F)cn1)c1nnn(C)n1
• InChI: InChI=1S/C18H17FN7O5P/c1-24(17-21-23-25(2)22-17)16-6-3-11(8-20-16)14-5-4-12(7-15(14)19)26-9-13(31-18(26)27)10-30-32(28)29/h3-8,13H,9-10H2,1-2H3/p+1/t13-/m1/s1
• InChIKey: MOMQRQIJVDGGDF-CYBMUJFWSA-O
• XLogP: 2.17
• TPSA: 135.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.36
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium?

The IUPAC name of [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium (CID 90350782) is [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium.

What is the SMILES notation for [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium?

The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium is CN(c1ccc(-c2ccc(N3C[C@H](CO[P+](=O)O)OC3=O)cc2F)cn1)c1nnn(C)n1.

What is the InChIKey of [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium?

The InChIKey is MOMQRQIJVDGGDF-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H17FN7O5P/c1-24(17-21-23-25(2)22-17)16-6-3-11(8-20-16)14-5-4-12(7-15(14)19)26-9-13(31-18(26)27)10-30-32(28)29/h3-8,13H,9-10H2,1-2H3/p+1/t13-/m1/s1.

What are the key properties of [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium?

[(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium has a molecular weight of 462.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 90350782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).