7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20Cl2N2O4 — CID 74744708

IUPAC7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)C3=C(C(=O)C4CC(Cl)C(C)CC4O3)C2c2cccc(Cl)c2)no1
InChIInChI=1S/C22H20Cl2N2O4/c1-10-6-16-14(9-15(10)24)20(27)18-19(12-4-3-5-13(23)8-12)26(22(28)21(18)29-16)17-7-11(2)30-25-17/h3-5,7-8,10,14-16,19H,6,9H2,1-2H3
InChIKeyYUZASGRUAXBHPP-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.60
Rot. Bonds2

About 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74744708) has the molecular formula C22H20Cl2N2O4 and a molecular weight of 447.32 g/mol. Its IUPAC name is 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74744708
Molecular FormulaC22H20Cl2N2O4
Molecular Weight447.32 g/mol
Exact Mass446.08
IUPAC Name7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)C3=C(C(=O)C4CC(Cl)C(C)CC4O3)C2c2cccc(Cl)c2)no1
InChIInChI=1S/C22H20Cl2N2O4/c1-10-6-16-14(9-15(10)24)20(27)18-19(12-4-3-5-13(23)8-12)26(22(28)21(18)29-16)17-7-11(2)30-25-17/h3-5,7-8,10,14-16,19H,6,9H2,1-2H3
InChIKeyYUZASGRUAXBHPP-UHFFFAOYSA-N
XLogP4.60
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-chloro-1-(3-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746009
7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746011
7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746881
7-chloro-1-(3-chlorophenyl)-2,6-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263732
1-(3-ethoxyphenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78370483
1-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261638
7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74729264
1-(3-chlorophenyl)-7-methyl-2-(1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254359
1-(3-hydroxyphenyl)-6,7-dimethyl-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78229783
7-chloro-2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-6-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78248913
7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78371087
(4E,5S)-5-(3-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 98318706

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74744708) is 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(N2C(=O)C3=C(C(=O)C4CC(Cl)C(C)CC4O3)C2c2cccc(Cl)c2)no1.
What is the InChIKey of 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YUZASGRUAXBHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4/c1-10-6-16-14(9-15(10)24)20(27)18-19(12-4-3-5-13(23)8-12)26(22(28)21(18)29-16)17-7-11(2)30-25-17/h3-5,7-8,10,14-16,19H,6,9H2,1-2H3.
What are the key properties of 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 447.32 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74744708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).