(5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide

C23H24N2O4 — CID 71728224

IUPAC(5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1=O
InChIInChI=1S/C23H24N2O4/c1-16(18-11-6-3-7-12-18)25-21(27)23(29-22(25)28,15-17-9-4-2-5-10-17)20(26)24-19-13-8-14-19/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,26)/t16-,23-/m1/s1
InChIKeyZIEYJUHTAYIPSJ-WAIKUNEKSA-N
MW392.45 g/mol
LogP3.38
Rot. Bonds6

About (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide

(5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (PubChem CID 71728224) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
PubChem CID71728224
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name(5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1=O
InChIInChI=1S/C23H24N2O4/c1-16(18-11-6-3-7-12-18)25-21(27)23(29-22(25)28,15-17-9-4-2-5-10-17)20(26)24-19-13-8-14-19/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,26)/t16-,23-/m1/s1
InChIKeyZIEYJUHTAYIPSJ-WAIKUNEKSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (CID 71728224) is (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1=O.
What is the InChIKey of (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The InChIKey is ZIEYJUHTAYIPSJ-WAIKUNEKSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16(18-11-6-3-7-12-18)25-21(27)23(29-22(25)28,15-17-9-4-2-5-10-17)20(26)24-19-13-8-14-19/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,26)/t16-,23-/m1/s1.
What are the key properties of (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
(5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-N-cyclobutyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71728224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).