[(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

C22H25FN7O4+ — CID 59515984

About [(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

[(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 (PubChem CID 59515984) has the molecular formula C22H25FN7O4+ and a molecular weight of 470.49 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 59515984
• Molecular Formula: C22H25FN7O4+
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.19
• IUPAC Name: [(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
• SMILES: CC(C)[C@H]([NH3+])C(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H24FN7O4/c1-12(2)19(24)21(31)33-11-15-10-30(22(32)34-15)14-5-6-16(17(23)8-14)13-4-7-18(25-9-13)20-26-28-29(3)27-20/h4-9,12,15,19H,10-11,24H2,1-3H3/p+1/t15-,19+/m1/s1
• InChIKey: BXEHMKOTBRAOQC-BEFAXECRSA-O
• XLogP: 1.21
• TPSA: 139.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is CC(C)[C@H]([NH3+])C(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of [(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?

The InChIKey is BXEHMKOTBRAOQC-BEFAXECRSA-O. The full InChI is InChI=1S/C22H24FN7O4/c1-12(2)19(24)21(31)33-11-15-10-30(22(32)34-15)14-5-6-16(17(23)8-14)13-4-7-18(25-9-13)20-26-28-29(3)27-20/h4-9,12,15,19H,10-11,24H2,1-3H3/p+1/t15-,19+/m1/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 470.49 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 59515984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).