2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione

C18H14N4O5 — CID 7348154

IUPAC2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nonc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChIInChI=1S/C18H14N4O5/c23-15-9-5-1-2-6-10(9)16(24)21(15)13-14(20-27-19-13)22-17(25)11-7-3-4-8-12(11)18(22)26/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12-/m1/s1
InChIKeyUZNZQPZHXRJMAL-VXGBXAGGSA-N
MW366.33 g/mol
LogP1.55
Rot. Bonds2

About 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione

2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione (PubChem CID 7348154) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione
PubChem CID7348154
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC Name2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nonc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChIInChI=1S/C18H14N4O5/c23-15-9-5-1-2-6-10(9)16(24)21(15)13-14(20-27-19-13)22-17(25)11-7-3-4-8-12(11)18(22)26/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12-/m1/s1
InChIKeyUZNZQPZHXRJMAL-VXGBXAGGSA-N
XLogP1.55
TPSA113.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione (CID 7348154) is 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1nonc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O.
What is the InChIKey of 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione?
The InChIKey is UZNZQPZHXRJMAL-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H14N4O5/c23-15-9-5-1-2-6-10(9)16(24)21(15)13-14(20-27-19-13)22-17(25)11-7-3-4-8-12(11)18(22)26/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12-/m1/s1.
What are the key properties of 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione?
2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione has a molecular weight of 366.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 7348154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).