4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid

C22H25NO3 — CID 141320363

IUPAC4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid
SMILESC=CCCC1(C(=O)O)NC(c2ccccc2)(c2ccccc2)OC1CC
InChIInChI=1S/C22H25NO3/c1-3-5-16-21(20(24)25)19(4-2)26-22(23-21,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h3,6-15,19,23H,1,4-5,16H2,2H3,(H,24,25)
InChIKeyPXYYZTWWQDWKIY-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.08
Rot. Bonds7

About 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid

4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 141320363) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID141320363
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid
SMILESC=CCCC1(C(=O)O)NC(c2ccccc2)(c2ccccc2)OC1CC
InChIInChI=1S/C22H25NO3/c1-3-5-16-21(20(24)25)19(4-2)26-22(23-21,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h3,6-15,19,23H,1,4-5,16H2,2H3,(H,24,25)
InChIKeyPXYYZTWWQDWKIY-UHFFFAOYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid (CID 141320363) is 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid is C=CCCC1(C(=O)O)NC(c2ccccc2)(c2ccccc2)OC1CC.
What is the InChIKey of 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is PXYYZTWWQDWKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-3-5-16-21(20(24)25)19(4-2)26-22(23-21,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h3,6-15,19,23H,1,4-5,16H2,2H3,(H,24,25).
What are the key properties of 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid?
4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 141320363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).