5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H18Cl2N2O5 — CID 4908986

About 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4908986) has the molecular formula C24H18Cl2N2O5 and a molecular weight of 485.32 g/mol. Its IUPAC name is 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4908986
• Molecular Formula: C24H18Cl2N2O5
• Molecular Weight: 485.32 g/mol
• Exact Mass: 484.06
• IUPAC Name: 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1ccc(C2c3c(oc4c(Cl)cc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1
• InChI: InChI=1S/C24H18Cl2N2O5/c1-3-8-31-15-6-4-13(5-7-15)20-19-21(29)16-10-14(25)11-17(26)22(16)32-23(19)24(30)28(20)18-9-12(2)33-27-18/h4-7,9-11,20H,3,8H2,1-2H3
• InChIKey: OBLCGNLNUABMDY-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 85.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.32
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4908986) is 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4c(Cl)cc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1.

What is the InChIKey of 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is OBLCGNLNUABMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O5/c1-3-8-31-15-6-4-13(5-7-15)20-19-21(29)16-10-14(25)11-17(26)22(16)32-23(19)24(30)28(20)18-9-12(2)33-27-18/h4-7,9-11,20H,3,8H2,1-2H3.

What are the key properties of 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 485.32 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4908986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).