1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione

C14H19N3O3 — CID 62903654

IUPAC1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cnoc2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C14H19N3O3/c18-13-7-12(16-10-8-15-20-9-10)14(19)17(13)11-5-3-1-2-4-6-11/h8-9,11-12,16H,1-7H2
InChIKeyQTPQZVDLUGGXLI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.94
Rot. Bonds3

About 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione

1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione (PubChem CID 62903654) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
PubChem CID62903654
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cnoc2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C14H19N3O3/c18-13-7-12(16-10-8-15-20-9-10)14(19)17(13)11-5-3-1-2-4-6-11/h8-9,11-12,16H,1-7H2
InChIKeyQTPQZVDLUGGXLI-UHFFFAOYSA-N
XLogP1.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.94
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-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione (CID 62903654) is 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione is O=C1CC(Nc2cnoc2)C(=O)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione?
The InChIKey is QTPQZVDLUGGXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13-7-12(16-10-8-15-20-9-10)14(19)17(13)11-5-3-1-2-4-6-11/h8-9,11-12,16H,1-7H2.
What are the key properties of 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione?
1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 62903654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).