3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

C17H12N2O3 — CID 13332383

IUPAC3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESO=C1C2ON=C(c3ccccc3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C17H12N2O3/c20-16-13-14(11-7-3-1-4-8-11)18-22-15(13)17(21)19(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyUQHHGUWPWFYLJF-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.98
Rot. Bonds2

About 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 13332383) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID13332383
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESO=C1C2ON=C(c3ccccc3)C2C(=O)N1c1ccccc1
InChIInChI=1S/C17H12N2O3/c20-16-13-14(11-7-3-1-4-8-11)18-22-15(13)17(21)19(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyUQHHGUWPWFYLJF-UHFFFAOYSA-N
XLogP1.98
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.98
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 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The IUPAC name of 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 13332383) is 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
What is the SMILES notation for 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The canonical SMILES for 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is O=C1C2ON=C(c3ccccc3)C2C(=O)N1c1ccccc1.
What is the InChIKey of 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is UQHHGUWPWFYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16-13-14(11-7-3-1-4-8-11)18-22-15(13)17(21)19(16)12-9-5-2-6-10-12/h1-10,13,15H.
What are the key properties of 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 292.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 13332383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).