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

C16H14N2O4 — CID 2948282

IUPAC3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCc1ccc(N2OC3C(=O)NC(=O)C3C2c2ccco2)cc1
InChIInChI=1S/C16H14N2O4/c1-9-4-6-10(7-5-9)18-13(11-3-2-8-21-11)12-14(22-18)16(20)17-15(12)19/h2-8,12-14H,1H3,(H,17,19,20)
InChIKeyYJNDLSHOHGODFM-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.72
Rot. Bonds2

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

3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 2948282) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID2948282
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCc1ccc(N2OC3C(=O)NC(=O)C3C2c2ccco2)cc1
InChIInChI=1S/C16H14N2O4/c1-9-4-6-10(7-5-9)18-13(11-3-2-8-21-11)12-14(22-18)16(20)17-15(12)19/h2-8,12-14H,1H3,(H,17,19,20)
InChIKeyYJNDLSHOHGODFM-UHFFFAOYSA-N
XLogP1.72
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
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 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The IUPAC name of 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 2948282) is 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
What is the SMILES notation for 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The canonical SMILES for 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is Cc1ccc(N2OC3C(=O)NC(=O)C3C2c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is YJNDLSHOHGODFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-4-6-10(7-5-9)18-13(11-3-2-8-21-11)12-14(22-18)16(20)17-15(12)19/h2-8,12-14H,1H3,(H,17,19,20).
What are the key properties of 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 298.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 2948282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).