3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C22H16Cl2N4O4 — CID 91104503

About 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 91104503) has the molecular formula C22H16Cl2N4O4 and a molecular weight of 471.30 g/mol. Its IUPAC name is 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 91104503
• Molecular Formula: C22H16Cl2N4O4
• Molecular Weight: 471.30 g/mol
• Exact Mass: 470.05
• IUPAC Name: 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: O=C(NCc1cccc(Oc2ccccn2)c1)c1nc(Cc2cc(Cl)c(O)c(Cl)c2)no1
• InChI: InChI=1S/C22H16Cl2N4O4/c23-16-9-14(10-17(24)20(16)29)11-18-27-22(32-28-18)21(30)26-12-13-4-3-5-15(8-13)31-19-6-1-2-7-25-19/h1-10,29H,11-12H2,(H,26,30)
• InChIKey: QGUCSNGSIYDCSV-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.30
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 91104503) is 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1cccc(Oc2ccccn2)c1)c1nc(Cc2cc(Cl)c(O)c(Cl)c2)no1.

What is the InChIKey of 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is QGUCSNGSIYDCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O4/c23-16-9-14(10-17(24)20(16)29)11-18-27-22(32-28-18)21(30)26-12-13-4-3-5-15(8-13)31-19-6-1-2-7-25-19/h1-10,29H,11-12H2,(H,26,30).

What are the key properties of 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?

3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 471.30 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 91104503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).