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

C16H16N2O3 — CID 91651949

IUPAC3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1cnc(CN2C(=O)CC(Cc3ccccc3)C2=O)o1
InChIInChI=1S/C16H16N2O3/c1-11-9-17-14(21-11)10-18-15(19)8-13(16(18)20)7-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3
InChIKeyVIBSGCWSFMHBAI-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.10
Rot. Bonds4

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

3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 91651949) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID91651949
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1cnc(CN2C(=O)CC(Cc3ccccc3)C2=O)o1
InChIInChI=1S/C16H16N2O3/c1-11-9-17-14(21-11)10-18-15(19)8-13(16(18)20)7-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3
InChIKeyVIBSGCWSFMHBAI-UHFFFAOYSA-N
XLogP2.10
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione (CID 91651949) is 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione is Cc1cnc(CN2C(=O)CC(Cc3ccccc3)C2=O)o1.
What is the InChIKey of 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is VIBSGCWSFMHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-9-17-14(21-11)10-18-15(19)8-13(16(18)20)7-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3.
What are the key properties of 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 284.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 91651949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).