5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde

C17H16BrNO2 — CID 174444121

IUPAC5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1OC(Cc2ccccc2)CN1c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO2/c18-14-6-8-15(9-7-14)19-11-16(21-17(19)12-20)10-13-4-2-1-3-5-13/h1-9,12,16-17H,10-11H2
InChIKeyQZEFMVGOGCIJJR-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.42
Rot. Bonds4

About 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde

5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174444121) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174444121
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1OC(Cc2ccccc2)CN1c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO2/c18-14-6-8-15(9-7-14)19-11-16(21-17(19)12-20)10-13-4-2-1-3-5-13/h1-9,12,16-17H,10-11H2
InChIKeyQZEFMVGOGCIJJR-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde (CID 174444121) is 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1OC(Cc2ccccc2)CN1c1ccc(Br)cc1.
What is the InChIKey of 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is QZEFMVGOGCIJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c18-14-6-8-15(9-7-14)19-11-16(21-17(19)12-20)10-13-4-2-1-3-5-13/h1-9,12,16-17H,10-11H2.
What are the key properties of 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde?
5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 346.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-bromophenyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174444121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).