3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione

C17H18N2O3 — CID 118708188

IUPAC3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(c2noc3ccccc23)C(=O)N1C1CCCCC1
InChIInChI=1S/C17H18N2O3/c20-15-10-13(16-12-8-4-5-9-14(12)22-18-16)17(21)19(15)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2
InChIKeyVSRWWPQVUDBNNU-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.00
Rot. Bonds2

About 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione

3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione (PubChem CID 118708188) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione
PubChem CID118708188
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(c2noc3ccccc23)C(=O)N1C1CCCCC1
InChIInChI=1S/C17H18N2O3/c20-15-10-13(16-12-8-4-5-9-14(12)22-18-16)17(21)19(15)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2
InChIKeyVSRWWPQVUDBNNU-UHFFFAOYSA-N
XLogP3.00
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.00
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-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione (CID 118708188) is 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione is O=C1CC(c2noc3ccccc23)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is VSRWWPQVUDBNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-15-10-13(16-12-8-4-5-9-14(12)22-18-16)17(21)19(15)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2.
What are the key properties of 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione?
3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione has a molecular weight of 298.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 118708188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).