(5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one

C23H24FN7O3 — CID 90950187

About (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 90950187) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 90950187
• Molecular Formula: C23H24FN7O3
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.19
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one
• SMILES: CNC[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@@H](CCn5ccnn5)OC4=O)cc3F)cn2)NO1
• InChI: InChI=1S/C23H24FN7O3/c1-25-13-18-11-22(28-34-18)21-5-2-15(12-26-21)19-4-3-16(10-20(19)24)31-14-17(33-23(31)32)6-8-30-9-7-27-29-30/h2-5,7,9-12,17-18,25,28H,6,8,13-14H2,1H3/t17-,18+/m1/s1
• InChIKey: PHZZXZVUNAWGJQ-MSOLQXFVSA-N
• XLogP: 2.36
• TPSA: 106.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one (CID 90950187) is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one is CNC[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@@H](CCn5ccnn5)OC4=O)cc3F)cn2)NO1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one?

The InChIKey is PHZZXZVUNAWGJQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-25-13-18-11-22(28-34-18)21-5-2-15(12-26-21)19-4-3-16(10-20(19)24)31-14-17(33-23(31)32)6-8-30-9-7-27-29-30/h2-5,7,9-12,17-18,25,28H,6,8,13-14H2,1H3/t17-,18+/m1/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one?

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 465.49 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-2,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-[2-(triazol-1-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90950187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).