(4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one

C23H23FN2O2 — CID 118019354

About (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 118019354) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 118019354
• Molecular Formula: C23H23FN2O2
• Molecular Weight: 378.45 g/mol
• Exact Mass: 378.17
• IUPAC Name: (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
• SMILES: CC1(C#Cc2cncc([C@H]3NC(=O)O[C@@H]3c3cccc(F)c3)c2)CCCCC1
• InChI: InChI=1S/C23H23FN2O2/c1-23(9-3-2-4-10-23)11-8-16-12-18(15-25-14-16)20-21(28-22(27)26-20)17-6-5-7-19(24)13-17/h5-7,12-15,20-21H,2-4,9-10H2,1H3,(H,26,27)/t20-,21-/m1/s1
• InChIKey: AFKGSUFISOKXGE-NHCUHLMSSA-N
• XLogP: 5.06
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.45
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one (CID 118019354) is (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one is CC1(C#Cc2cncc([C@H]3NC(=O)O[C@@H]3c3cccc(F)c3)c2)CCCCC1.

What is the InChIKey of (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is AFKGSUFISOKXGE-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-23(9-3-2-4-10-23)11-8-16-12-18(15-25-14-16)20-21(28-22(27)26-20)17-6-5-7-19(24)13-17/h5-7,12-15,20-21H,2-4,9-10H2,1H3,(H,26,27)/t20-,21-/m1/s1.

What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?

(4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 378.45 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-(3-fluorophenyl)-4-[5-[2-(1-methylcyclohexyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118019354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).