4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde

C16H23NO2 — CID 174614064

IUPAC4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde
SMILESCC(C)CCN1C(Cc2ccccc2)COC1C=O
InChIInChI=1S/C16H23NO2/c1-13(2)8-9-17-15(12-19-16(17)11-18)10-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12H2,1-2H3
InChIKeyFNKGHNPAFMEIRH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds6

About 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde

4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174614064) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174614064
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde
SMILESCC(C)CCN1C(Cc2ccccc2)COC1C=O
InChIInChI=1S/C16H23NO2/c1-13(2)8-9-17-15(12-19-16(17)11-18)10-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12H2,1-2H3
InChIKeyFNKGHNPAFMEIRH-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde 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 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde (CID 174614064) is 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde is CC(C)CCN1C(Cc2ccccc2)COC1C=O.
What is the InChIKey of 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is FNKGHNPAFMEIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)8-9-17-15(12-19-16(17)11-18)10-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12H2,1-2H3.
What are the key properties of 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde?
4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 261.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(3-methylbutyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174614064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).