1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione

C13H17N3O3 — CID 79237182

IUPAC1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCc1noc(C)c1CNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C13H17N3O3/c1-7-10(8(2)19-15-7)6-14-11-5-12(17)16(13(11)18)9-3-4-9/h9,11,14H,3-6H2,1-2H3
InChIKeyVPCQECONZKQZRD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.67
Rot. Bonds4

About 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 79237182) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID79237182
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione
SMILESCc1noc(C)c1CNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C13H17N3O3/c1-7-10(8(2)19-15-7)6-14-11-5-12(17)16(13(11)18)9-3-4-9/h9,11,14H,3-6H2,1-2H3
InChIKeyVPCQECONZKQZRD-UHFFFAOYSA-N
XLogP0.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.67
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-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione (CID 79237182) is 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione is Cc1noc(C)c1CNC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is VPCQECONZKQZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-10(8(2)19-15-7)6-14-11-5-12(17)16(13(11)18)9-3-4-9/h9,11,14H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 79237182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).