benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)

C42H38Cl2N6O10 — CID 175653131

About benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)

benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide) (PubChem CID 175653131) has the molecular formula C42H38Cl2N6O10 and a molecular weight of 857.70 g/mol. Its IUPAC name is benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide).

Molecular Properties

• Compound Name: benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
• PubChem CID: 175653131
• Molecular Formula: C42H38Cl2N6O10
• Molecular Weight: 857.70 g/mol
• Exact Mass: 856.20
• IUPAC Name: benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
• SMILES: COc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1OC.COc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1OC.c1ccccc1
• InChI: InChI=1S/2C18H16ClN3O5.C6H6/c2*1-24-14-8-3-11(9-15(14)25-2)17-18(22-27-21-17)20-16(23)10-26-13-6-4-12(19)5-7-13;1-2-4-6-5-3-1/h2*3-9H,10H2,1-2H3,(H,20,22,23);1-6H
• InChIKey: OLULIGYDCYLYHQ-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 191.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.70
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)?

The IUPAC name of benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide) (CID 175653131) is benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide).

What is the SMILES notation for benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)?

The canonical SMILES for benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide) is COc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1OC.COc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1OC.c1ccccc1.

What is the InChIKey of benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)?

The InChIKey is OLULIGYDCYLYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16ClN3O5.C6H6/c2*1-24-14-8-3-11(9-15(14)25-2)17-18(22-27-21-17)20-16(23)10-26-13-6-4-12(19)5-7-13;1-2-4-6-5-3-1/h2*3-9H,10H2,1-2H3,(H,20,22,23);1-6H.

What are the key properties of benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)?

benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide) has a molecular weight of 857.70 g/mol, XLogP of 8.54, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide) is sourced from PubChem (CID 175653131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).