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

C22H22FN7O3 — CID 11662407

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

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11662407) has the molecular formula C22H22FN7O3 and a molecular weight of 451.46 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 11662407
• Molecular Formula: C22H22FN7O3
• Molecular Weight: 451.46 g/mol
• Exact Mass: 451.18
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: CNC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
• InChI: InChI=1S/C22H22FN7O3/c1-24-11-16-9-21(27-33-16)20-5-2-14(10-25-20)18-4-3-15(8-19(18)23)30-13-17(32-22(30)31)12-29-7-6-26-28-29/h2-8,10,16-17,24H,9,11-13H2,1H3/t16-,17-/m0/s1
• InChIKey: DJNRMGNHIIKZNJ-IRXDYDNUSA-N
• XLogP: 2.22
• TPSA: 106.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.46
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11662407) is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CNC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.

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

The InChIKey is DJNRMGNHIIKZNJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H22FN7O3/c1-24-11-16-9-21(27-33-16)20-5-2-14(10-25-20)18-4-3-15(8-19(18)23)30-13-17(32-22(30)31)12-29-7-6-26-28-29/h2-8,10,16-17,24H,9,11-13H2,1H3/t16-,17-/m0/s1.

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

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 451.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 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)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11662407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).