3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C20H16N4O3 — CID 78879020

IUPAC3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4O3/c25-18-20(11-10-13-6-4-5-9-15(13)20)22-19(26)24(18)12-16-21-17(27-23-16)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,22,26)
InChIKeyVLXXWUYMMZXXSU-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.63
Rot. Bonds3

About 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 78879020) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID78879020
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc32)C(=O)N1Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4O3/c25-18-20(11-10-13-6-4-5-9-15(13)20)22-19(26)24(18)12-16-21-17(27-23-16)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,22,26)
InChIKeyVLXXWUYMMZXXSU-UHFFFAOYSA-N
XLogP2.63
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 78879020) is 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc32)C(=O)N1Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is VLXXWUYMMZXXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-18-20(11-10-13-6-4-5-9-15(13)20)22-19(26)24(18)12-16-21-17(27-23-16)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,22,26).
What are the key properties of 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 360.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 78879020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).