(4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one

C92H72N8O12 — CID 158511546

About (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 158511546) has the molecular formula C92H72N8O12 and a molecular weight of 1481.63 g/mol. Its IUPAC name is (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 158511546
• Molecular Formula: C92H72N8O12
• Molecular Weight: 1481.63 g/mol
• Exact Mass: 1480.53
• IUPAC Name: (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccccc1[C@@H]1OC(=O)N[C@@H]1c1cncc(C#Cc2ccccc2)c1.COc1ccccc1[C@@H]1OC(=O)N[C@H]1c1cncc(C#Cc2ccccc2)c1.COc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(C#Cc2ccccc2)c1.COc1ccccc1[C@H]1OC(=O)N[C@H]1c1cncc(C#Cc2ccccc2)c1
• InChI: InChI=1S/4C23H18N2O3/c4*1-27-20-10-6-5-9-19(20)22-21(25-23(26)28-22)18-13-17(14-24-15-18)12-11-16-7-3-2-4-8-16/h4*2-10,13-15,21-22H,1H3,(H,25,26)/t2*21-,22+;2*21-,22-/m1010/s1
• InChIKey: HLCSUUWAPBZPTG-MNDHOJLESA-N
• XLogP: 16.05
• TPSA: 241.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.63
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 158511546) is (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is COc1ccccc1[C@@H]1OC(=O)N[C@@H]1c1cncc(C#Cc2ccccc2)c1.COc1ccccc1[C@@H]1OC(=O)N[C@H]1c1cncc(C#Cc2ccccc2)c1.COc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(C#Cc2ccccc2)c1.COc1ccccc1[C@H]1OC(=O)N[C@H]1c1cncc(C#Cc2ccccc2)c1.

What is the InChIKey of (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is HLCSUUWAPBZPTG-MNDHOJLESA-N. The full InChI is InChI=1S/4C23H18N2O3/c4*1-27-20-10-6-5-9-19(20)22-21(25-23(26)28-22)18-13-17(14-24-15-18)12-11-16-7-3-2-4-8-16/h4*2-10,13-15,21-22H,1H3,(H,25,26)/t2*21-,22+;2*21-,22-/m1010/s1.

What are the key properties of (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?

(4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 1481.63 g/mol, XLogP of 16.05, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158511546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).