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

C22H14Cl2N2O5 — CID 4907380

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

5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4907380) has the molecular formula C22H14Cl2N2O5 and a molecular weight of 457.27 g/mol. Its IUPAC name is 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4907380
• Molecular Formula: C22H14Cl2N2O5
• Molecular Weight: 457.27 g/mol
• Exact Mass: 456.03
• IUPAC Name: 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cccc(C2c3c(oc4c(Cl)cc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1
• InChI: InChI=1S/C22H14Cl2N2O5/c1-10-6-16(25-31-10)26-18(11-4-3-5-13(7-11)29-2)17-19(27)14-8-12(23)9-15(24)20(14)30-21(17)22(26)28/h3-9,18H,1-2H3
• InChIKey: CAMDVQCTQNUWFV-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 85.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.27
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4907380) is 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(C2c3c(oc4c(Cl)cc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1.

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

The InChIKey is CAMDVQCTQNUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O5/c1-10-6-16(25-31-10)26-18(11-4-3-5-13(7-11)29-2)17-19(27)14-8-12(23)9-15(24)20(14)30-21(17)22(26)28/h3-9,18H,1-2H3.

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

5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 457.27 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4907380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).