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

C21H25ClN2O2 — CID 134150200

IUPAC3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(CCCCN1C(=O)OCC1c1ccccc1)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
InChIKeyIMCCNHBMGUOQCM-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.75
Rot. Bonds8

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

3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134150200) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134150200
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(CCCCN1C(=O)OCC1c1ccccc1)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
InChIKeyIMCCNHBMGUOQCM-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one (CID 134150200) is 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one is CN(CCCCN1C(=O)OCC1c1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IMCCNHBMGUOQCM-UHFFFAOYSA-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.
What are the key properties of 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
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 3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134150200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).