3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one

C21H26N2O2 — CID 134150074

IUPAC3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(CCCCN1C(=O)OCC1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(16-18-10-4-2-5-11-18)14-8-9-15-23-20(17-25-21(23)24)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3
InChIKeyKDJNUQKPANAGAS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.09
Rot. Bonds8

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

3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134150074) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134150074
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(CCCCN1C(=O)OCC1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(16-18-10-4-2-5-11-18)14-8-9-15-23-20(17-25-21(23)24)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3
InChIKeyKDJNUQKPANAGAS-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.09
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-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one (CID 134150074) is 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one is CN(CCCCN1C(=O)OCC1c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KDJNUQKPANAGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(16-18-10-4-2-5-11-18)14-8-9-15-23-20(17-25-21(23)24)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3.
What are the key properties of 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134150074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).