5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

C22H18N2O4 — CID 2867438

IUPAC5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESO=C1C2ON(c3ccccc3)C(c3ccco3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H18N2O4/c25-21-18-19(17-12-7-13-27-17)24(16-10-5-2-6-11-16)28-20(18)22(26)23(21)14-15-8-3-1-4-9-15/h1-13,18-20H,14H2
InChIKeyGLYNUAHOUCDRGI-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.33
Rot. Bonds4

About 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 2867438) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID2867438
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESO=C1C2ON(c3ccccc3)C(c3ccco3)C2C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H18N2O4/c25-21-18-19(17-12-7-13-27-17)24(16-10-5-2-6-11-16)28-20(18)22(26)23(21)14-15-8-3-1-4-9-15/h1-13,18-20H,14H2
InChIKeyGLYNUAHOUCDRGI-UHFFFAOYSA-N
XLogP3.33
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
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 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The IUPAC name of 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 2867438) is 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
What is the SMILES notation for 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The canonical SMILES for 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is O=C1C2ON(c3ccccc3)C(c3ccco3)C2C(=O)N1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is GLYNUAHOUCDRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21-18-19(17-12-7-13-27-17)24(16-10-5-2-6-11-16)28-20(18)22(26)23(21)14-15-8-3-1-4-9-15/h1-13,18-20H,14H2.
What are the key properties of 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 374.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 2867438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).