2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal

C27H24N2O4 — CID 56990453

IUPAC2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal
SMILESCC(C=O)(c1ccccc1)N1CC(N2C(=O)OC(c3ccccc3)C2c2ccccc2)C1=O
InChIInChI=1S/C27H24N2O4/c1-27(18-30,21-15-9-4-10-16-21)28-17-22(25(28)31)29-23(19-11-5-2-6-12-19)24(33-26(29)32)20-13-7-3-8-14-20/h2-16,18,22-24H,17H2,1H3
InChIKeyRUNYGGAJNJRPGS-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.25
Rot. Bonds6

About 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal

2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal (PubChem CID 56990453) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal.

Molecular Properties

Compound Name2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal
PubChem CID56990453
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal
SMILESCC(C=O)(c1ccccc1)N1CC(N2C(=O)OC(c3ccccc3)C2c2ccccc2)C1=O
InChIInChI=1S/C27H24N2O4/c1-27(18-30,21-15-9-4-10-16-21)28-17-22(25(28)31)29-23(19-11-5-2-6-12-19)24(33-26(29)32)20-13-7-3-8-14-20/h2-16,18,22-24H,17H2,1H3
InChIKeyRUNYGGAJNJRPGS-UHFFFAOYSA-N
XLogP4.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.25
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 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal?
The IUPAC name of 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal (CID 56990453) is 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal.
What is the SMILES notation for 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal?
The canonical SMILES for 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal is CC(C=O)(c1ccccc1)N1CC(N2C(=O)OC(c3ccccc3)C2c2ccccc2)C1=O.
What is the InChIKey of 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal?
The InChIKey is RUNYGGAJNJRPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-27(18-30,21-15-9-4-10-16-21)28-17-22(25(28)31)29-23(19-11-5-2-6-12-19)24(33-26(29)32)20-13-7-3-8-14-20/h2-16,18,22-24H,17H2,1H3.
What are the key properties of 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal?
2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal has a molecular weight of 440.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]-2-phenylpropanal is sourced from PubChem (CID 56990453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).