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

C24H24FN7O5 — CID 11555280

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

2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid (PubChem CID 11555280) has the molecular formula C24H24FN7O5 and a molecular weight of 509.50 g/mol. Its IUPAC name is 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid.

Molecular Properties

• Compound Name: 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid
• PubChem CID: 11555280
• Molecular Formula: C24H24FN7O5
• Molecular Weight: 509.50 g/mol
• Exact Mass: 509.18
• IUPAC Name: 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid
• SMILES: CN(CC(=O)O)C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
• InChI: InChI=1S/C24H24FN7O5/c1-30(14-23(33)34)11-17-9-22(28-37-17)21-5-2-15(10-26-21)19-4-3-16(8-20(19)25)32-13-18(36-24(32)35)12-31-7-6-27-29-31/h2-8,10,17-18H,9,11-14H2,1H3,(H,33,34)/t17-,18-/m0/s1
• InChIKey: MYPKFUVLSBVZCV-ROUUACIJSA-N
• XLogP: 2.01
• TPSA: 135.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.50
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid (CID 11555280) is 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid.

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

The canonical SMILES for 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.

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

The InChIKey is MYPKFUVLSBVZCV-ROUUACIJSA-N. The full InChI is InChI=1S/C24H24FN7O5/c1-30(14-23(33)34)11-17-9-22(28-37-17)21-5-2-15(10-26-21)19-4-3-16(8-20(19)25)32-13-18(36-24(32)35)12-31-7-6-27-29-31/h2-8,10,17-18H,9,11-14H2,1H3,(H,33,34)/t17-,18-/m0/s1.

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

2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid has a molecular weight of 509.50 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 11555280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).