5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde

C21H23NO3 — CID 174826555

IUPAC5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde
SMILESCCC1OC(C=Cc2ccccc2)N(OCc2ccccc2)C1C=O
InChIInChI=1S/C21H23NO3/c1-2-20-19(15-23)22(24-16-18-11-7-4-8-12-18)21(25-20)14-13-17-9-5-3-6-10-17/h3-15,19-21H,2,16H2,1H3
InChIKeyWYSJYBNGANIDTF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.84
Rot. Bonds7

About 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde

5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde (PubChem CID 174826555) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde
PubChem CID174826555
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde
SMILESCCC1OC(C=Cc2ccccc2)N(OCc2ccccc2)C1C=O
InChIInChI=1S/C21H23NO3/c1-2-20-19(15-23)22(24-16-18-11-7-4-8-12-18)21(25-20)14-13-17-9-5-3-6-10-17/h3-15,19-21H,2,16H2,1H3
InChIKeyWYSJYBNGANIDTF-UHFFFAOYSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde (CID 174826555) is 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde is CCC1OC(C=Cc2ccccc2)N(OCc2ccccc2)C1C=O.
What is the InChIKey of 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is WYSJYBNGANIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-20-19(15-23)22(24-16-18-11-7-4-8-12-18)21(25-20)14-13-17-9-5-3-6-10-17/h3-15,19-21H,2,16H2,1H3.
What are the key properties of 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde?
5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 337.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 174826555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).