[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 piperidine-4-carboxylate

C27H28FN7O5 — CID 58653805

About [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 piperidine-4-carboxylate

[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 piperidine-4-carboxylate (PubChem CID 58653805) has the molecular formula C27H28FN7O5 and a molecular weight of 549.56 g/mol. Its IUPAC name is [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 piperidine-4-carboxylate.

Molecular Properties

• Compound Name: [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 piperidine-4-carboxylate
• PubChem CID: 58653805
• Molecular Formula: C27H28FN7O5
• Molecular Weight: 549.56 g/mol
• Exact Mass: 549.21
• IUPAC Name: [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 piperidine-4-carboxylate
• SMILES: O=C(OCC1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)C1CCNCC1
• InChI: InChI=1S/C27H28FN7O5/c28-23-11-19(35-15-21(39-27(35)37)14-34-10-9-31-33-34)2-3-22(23)18-1-4-24(30-13-18)25-12-20(40-32-25)16-38-26(36)17-5-7-29-8-6-17/h1-4,9-11,13,17,20-21,29H,5-8,12,14-16H2/t20?,21-/m0/s1
• InChIKey: GVKOQBBKFMWTKO-LBAQZLPGSA-N
• XLogP: 2.54
• TPSA: 133.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.56
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [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 piperidine-4-carboxylate?

The IUPAC name of [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 piperidine-4-carboxylate (CID 58653805) is [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 piperidine-4-carboxylate.

What is the SMILES notation for [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 piperidine-4-carboxylate?

The canonical SMILES for [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 piperidine-4-carboxylate is O=C(OCC1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)C1CCNCC1.

What is the InChIKey of [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 piperidine-4-carboxylate?

The InChIKey is GVKOQBBKFMWTKO-LBAQZLPGSA-N. The full InChI is InChI=1S/C27H28FN7O5/c28-23-11-19(35-15-21(39-27(35)37)14-34-10-9-31-33-34)2-3-22(23)18-1-4-24(30-13-18)25-12-20(40-32-25)16-38-26(36)17-5-7-29-8-6-17/h1-4,9-11,13,17,20-21,29H,5-8,12,14-16H2/t20?,21-/m0/s1.

What are the key properties of [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 piperidine-4-carboxylate?

[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 piperidine-4-carboxylate has a molecular weight of 549.56 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [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 piperidine-4-carboxylate is sourced from PubChem (CID 58653805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).