2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde

C18H19NO2 — CID 87259774

IUPAC2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde
SMILESCC1ON(C)C(c2ccccc2)C1(C=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14-18(13-20,16-11-7-4-8-12-16)17(19(2)21-14)15-9-5-3-6-10-15/h3-14,17H,1-2H3
InChIKeyKZDUBSQHKUDIBG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.13
Rot. Bonds3

About 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde

2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde (PubChem CID 87259774) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde
PubChem CID87259774
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde
SMILESCC1ON(C)C(c2ccccc2)C1(C=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14-18(13-20,16-11-7-4-8-12-16)17(19(2)21-14)15-9-5-3-6-10-15/h3-14,17H,1-2H3
InChIKeyKZDUBSQHKUDIBG-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.13
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 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde?
The IUPAC name of 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde (CID 87259774) is 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde is CC1ON(C)C(c2ccccc2)C1(C=O)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde?
The InChIKey is KZDUBSQHKUDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-18(13-20,16-11-7-4-8-12-16)17(19(2)21-14)15-9-5-3-6-10-15/h3-14,17H,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde?
2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde has a molecular weight of 281.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-diphenyl-1,2-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 87259774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).