[(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 pyridine-3-carboxylate

C27H22FN7O5 — CID 58758440

IUPAC[(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 pyridine-3-carboxylate
SMILESO=C(OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)c1cccnc1
InChIInChI=1S/C27H22FN7O5/c28-23-10-19(35-15-21(39-27(35)37)14-34-9-8-31-33-34)4-5-22(23)17-3-6-24(30-13-17)25-11-20(40-32-25)16-38-26(36)18-2-1-7-29-12-18/h1-10,12-13,20-21H,11,14-16H2/t20-,21-/m0/s1
InChIKeyURXDNWJWXCTLPF-SFTDATJTSA-N
MW543.52 g/mol
LogP3.25
Rot. Bonds8

About [(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 pyridine-3-carboxylate

[(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 pyridine-3-carboxylate (PubChem CID 58758440) has the molecular formula C27H22FN7O5 and a molecular weight of 543.52 g/mol. Its IUPAC name is [(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 pyridine-3-carboxylate.

Molecular Properties

Compound Name[(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 pyridine-3-carboxylate
PubChem CID58758440
Molecular FormulaC27H22FN7O5
Molecular Weight543.52 g/mol
Exact Mass543.17
IUPAC Name[(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 pyridine-3-carboxylate
SMILESO=C(OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)c1cccnc1
InChIInChI=1S/C27H22FN7O5/c28-23-10-19(35-15-21(39-27(35)37)14-34-9-8-31-33-34)4-5-22(23)17-3-6-24(30-13-17)25-11-20(40-32-25)16-38-26(36)18-2-1-7-29-12-18/h1-10,12-13,20-21H,11,14-16H2/t20-,21-/m0/s1
InChIKeyURXDNWJWXCTLPF-SFTDATJTSA-N
XLogP3.25
TPSA133.92 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [(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 pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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 pyridine-3-carboxylate?
The IUPAC name of [(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 pyridine-3-carboxylate (CID 58758440) is [(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 pyridine-3-carboxylate.
What is the SMILES notation for [(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 pyridine-3-carboxylate?
The canonical SMILES for [(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 pyridine-3-carboxylate is O=C(OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)c1cccnc1.
What is the InChIKey of [(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 pyridine-3-carboxylate?
The InChIKey is URXDNWJWXCTLPF-SFTDATJTSA-N. The full InChI is InChI=1S/C27H22FN7O5/c28-23-10-19(35-15-21(39-27(35)37)14-34-9-8-31-33-34)4-5-22(23)17-3-6-24(30-13-17)25-11-20(40-32-25)16-38-26(36)18-2-1-7-29-12-18/h1-10,12-13,20-21H,11,14-16H2/t20-,21-/m0/s1.
What are the key properties of [(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 pyridine-3-carboxylate?
[(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 pyridine-3-carboxylate has a molecular weight of 543.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 pyridine-3-carboxylate is sourced from PubChem (CID 58758440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).