(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione

C16H16N2O3 — CID 1091344

IUPAC(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)C[C@H]([C@@H](C)c3ccccc3)C2=O)no1
InChIInChI=1S/C16H16N2O3/c1-10-8-14(17-21-10)18-15(19)9-13(16(18)20)11(2)12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3/t11-,13+/m0/s1
InChIKeyFFBKQJWOGJEOMT-WCQYABFASA-N
MW284.32 g/mol
LogP2.67
Rot. Bonds3

About (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione

(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 1091344) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
PubChem CID1091344
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)C[C@H]([C@@H](C)c3ccccc3)C2=O)no1
InChIInChI=1S/C16H16N2O3/c1-10-8-14(17-21-10)18-15(19)9-13(16(18)20)11(2)12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3/t11-,13+/m0/s1
InChIKeyFFBKQJWOGJEOMT-WCQYABFASA-N
XLogP2.67
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 1256195
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 970048
(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 671190
(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 98079235
4-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]benzoic acid
CID 2973798
4-[(3R)-2,5-dioxo-3-[(1S)-1-phenylethyl]pyrrolidin-1-yl]benzoic acid
CID 1250566
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 4992663
(3R)-1-(4-ethoxyphenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 774582
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903
(3R)-1-(1,3-benzothiazol-2-yl)-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7335607
2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
CID 567023
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione (CID 1091344) is (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione is Cc1cc(N2C(=O)C[C@H]([C@@H](C)c3ccccc3)C2=O)no1.
What is the InChIKey of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is FFBKQJWOGJEOMT-WCQYABFASA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-8-14(17-21-10)18-15(19)9-13(16(18)20)11(2)12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1091344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).