(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one

C21H25ClN2O2 — CID 134144946

IUPAC(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(CCCCN1C(=O)OC[C@H]1c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m0/s1
InChIKeyIMCCNHBMGUOQCM-FQEVSTJZSA-N
MW372.90 g/mol
LogP4.75
Rot. Bonds8

About (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134144946) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134144946
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(CCCCN1C(=O)OC[C@H]1c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m0/s1
InChIKeyIMCCNHBMGUOQCM-FQEVSTJZSA-N
XLogP4.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one (CID 134144946) is (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one is CN(CCCCN1C(=O)OC[C@H]1c1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IMCCNHBMGUOQCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-23(15-17-9-11-19(22)12-10-17)13-5-6-14-24-20(16-26-21(24)25)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m0/s1.
What are the key properties of (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 372.90 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134144946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).