1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione

C14H13N3O3 — CID 60934102

IUPAC1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ccc(-c3cnco3)cc2)C1=O
InChIInChI=1S/C14H13N3O3/c1-17-13(18)6-11(14(17)19)16-10-4-2-9(3-5-10)12-7-15-8-20-12/h2-5,7-8,11,16H,6H2,1H3
InChIKeyXDRMGBHHDAIDGJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.51
Rot. Bonds3

About 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione

1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione (PubChem CID 60934102) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione
PubChem CID60934102
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ccc(-c3cnco3)cc2)C1=O
InChIInChI=1S/C14H13N3O3/c1-17-13(18)6-11(14(17)19)16-10-4-2-9(3-5-10)12-7-15-8-20-12/h2-5,7-8,11,16H,6H2,1H3
InChIKeyXDRMGBHHDAIDGJ-UHFFFAOYSA-N
XLogP1.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione (CID 60934102) is 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione is CN1C(=O)CC(Nc2ccc(-c3cnco3)cc2)C1=O.
What is the InChIKey of 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione?
The InChIKey is XDRMGBHHDAIDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-13(18)6-11(14(17)19)16-10-4-2-9(3-5-10)12-7-15-8-20-12/h2-5,7-8,11,16H,6H2,1H3.
What are the key properties of 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione?
1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione has a molecular weight of 271.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 60934102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).