(4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one

C24H36N2O3 — CID 16662850

About (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one

(4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 16662850) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 16662850
• Molecular Formula: C24H36N2O3
• Molecular Weight: 400.56 g/mol
• Exact Mass: 400.27
• IUPAC Name: (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one
• SMILES: CC1CCCN1CCCOc1ccc(N2C(=O)OC[C@H]2CC2CCCCC2)cc1
• InChI: InChI=1S/C24H36N2O3/c1-19-7-5-14-25(19)15-6-16-28-23-12-10-21(11-13-23)26-22(18-29-24(26)27)17-20-8-3-2-4-9-20/h10-13,19-20,22H,2-9,14-18H2,1H3/t19?,22-/m1/s1
• InChIKey: VOKFJFSPYDFASE-AVKWCDSFSA-N
• XLogP: 5.24
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.56
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one (CID 16662850) is (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one is CC1CCCN1CCCOc1ccc(N2C(=O)OC[C@H]2CC2CCCCC2)cc1.

What is the InChIKey of (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one?

The InChIKey is VOKFJFSPYDFASE-AVKWCDSFSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-19-7-5-14-25(19)15-6-16-28-23-12-10-21(11-13-23)26-22(18-29-24(26)27)17-20-8-3-2-4-9-20/h10-13,19-20,22H,2-9,14-18H2,1H3/t19?,22-/m1/s1.

What are the key properties of (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one?

(4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 400.56 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 16662850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).