(6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

C18H10Cl2N2O5 — CID 6577703

IUPAC(6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESO=C1C2=C(c3ccc(Cl)cc3Cl)NO[C@H]2C(=O)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H10Cl2N2O5/c19-8-1-3-10(11(20)5-8)15-14-16(27-21-15)18(24)22(17(14)23)9-2-4-12-13(6-9)26-7-25-12/h1-6,16,21H,7H2/t16-/m1/s1
InChIKeyOLEBEQMDWIEVSQ-MRXNPFEDSA-N
MW405.19 g/mol
LogP2.91
Rot. Bonds2

About (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

(6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 6577703) has the molecular formula C18H10Cl2N2O5 and a molecular weight of 405.19 g/mol. Its IUPAC name is (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name(6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID6577703
Molecular FormulaC18H10Cl2N2O5
Molecular Weight405.19 g/mol
Exact Mass404.00
IUPAC Name(6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESO=C1C2=C(c3ccc(Cl)cc3Cl)NO[C@H]2C(=O)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H10Cl2N2O5/c19-8-1-3-10(11(20)5-8)15-14-16(27-21-15)18(24)22(17(14)23)9-2-4-12-13(6-9)26-7-25-12/h1-6,16,21H,7H2/t16-/m1/s1
InChIKeyOLEBEQMDWIEVSQ-MRXNPFEDSA-N
XLogP2.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The IUPAC name of (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 6577703) is (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
What is the SMILES notation for (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The canonical SMILES for (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is O=C1C2=C(c3ccc(Cl)cc3Cl)NO[C@H]2C(=O)N1c1ccc2c(c1)OCO2.
What is the InChIKey of (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is OLEBEQMDWIEVSQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H10Cl2N2O5/c19-8-1-3-10(11(20)5-8)15-14-16(27-21-15)18(24)22(17(14)23)9-2-4-12-13(6-9)26-7-25-12/h1-6,16,21H,7H2/t16-/m1/s1.
What are the key properties of (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
(6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 405.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-5-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 6577703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).