5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide

C20H16N6O4 — CID 154837830

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 154837830) has the molecular formula C20H16N6O4 and a molecular weight of 404.39 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 154837830
• Molecular Formula: C20H16N6O4
• Molecular Weight: 404.39 g/mol
• Exact Mass: 404.12
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
• SMILES: O=C(NCc1nc(-c2ccccn2)no1)c1cn[nH]c1-c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C20H16N6O4/c27-20(22-11-17-24-19(26-30-17)14-3-1-2-6-21-14)13-10-23-25-18(13)12-4-5-15-16(9-12)29-8-7-28-15/h1-6,9-10H,7-8,11H2,(H,22,27)(H,23,25)
• InChIKey: SNPDSMJJVGZERC-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 128.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.39
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (CID 154837830) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1nc(-c2ccccn2)no1)c1cn[nH]c1-c1ccc2c(c1)OCCO2.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?

The InChIKey is SNPDSMJJVGZERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O4/c27-20(22-11-17-24-19(26-30-17)14-3-1-2-6-21-14)13-10-23-25-18(13)12-4-5-15-16(9-12)29-8-7-28-15/h1-6,9-10H,7-8,11H2,(H,22,27)(H,23,25).

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154837830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).