1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

C19H20N2O3 — CID 167892355

IUPAC1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESCCc1nc(C)c(CN2C(=O)CC3(CCc4ccccc43)C2=O)o1
InChIInChI=1S/C19H20N2O3/c1-3-16-20-12(2)15(24-16)11-21-17(22)10-19(18(21)23)9-8-13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3
InChIKeyVZUOZPIAOZCOLY-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.69
Rot. Bonds3

About 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (PubChem CID 167892355) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
PubChem CID167892355
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESCCc1nc(C)c(CN2C(=O)CC3(CCc4ccccc43)C2=O)o1
InChIInChI=1S/C19H20N2O3/c1-3-16-20-12(2)15(24-16)11-21-17(22)10-19(18(21)23)9-8-13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3
InChIKeyVZUOZPIAOZCOLY-UHFFFAOYSA-N
XLogP2.69
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.69
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 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (CID 167892355) is 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is CCc1nc(C)c(CN2C(=O)CC3(CCc4ccccc43)C2=O)o1.
What is the InChIKey of 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The InChIKey is VZUOZPIAOZCOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-16-20-12(2)15(24-16)11-21-17(22)10-19(18(21)23)9-8-13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione has a molecular weight of 324.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 167892355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).