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

C23H20N2O4 — CID 664881

IUPAC5-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCCc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1
InChIInChI=1S/C23H20N2O4/c1-2-15-10-12-16(13-11-15)24-22(26)19-20(18-9-6-14-28-18)25(29-21(19)23(24)27)17-7-4-3-5-8-17/h3-14,19-21H,2H2,1H3
InChIKeyMBEIPAAIJONRMZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.89
Rot. Bonds4

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

5-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 664881) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID664881
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name5-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCCc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1
InChIInChI=1S/C23H20N2O4/c1-2-15-10-12-16(13-11-15)24-22(26)19-20(18-9-6-14-28-18)25(29-21(19)23(24)27)17-7-4-3-5-8-17/h3-14,19-21H,2H2,1H3
InChIKeyMBEIPAAIJONRMZ-UHFFFAOYSA-N
XLogP3.89
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.89
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-(4-ethylphenyl)-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-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 664881) is 5-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is CCc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is MBEIPAAIJONRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-15-10-12-16(13-11-15)24-22(26)19-20(18-9-6-14-28-18)25(29-21(19)23(24)27)17-7-4-3-5-8-17/h3-14,19-21H,2H2,1H3.
What are the key properties of 5-(4-ethylphenyl)-3-(furan-2-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
5-(4-ethylphenyl)-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 388.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-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 664881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).