1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

C21H16N4O4S — CID 16600636

About 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (PubChem CID 16600636) has the molecular formula C21H16N4O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.

Molecular Properties

• Compound Name: 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
• PubChem CID: 16600636
• Molecular Formula: C21H16N4O4S
• Molecular Weight: 420.45 g/mol
• Exact Mass: 420.09
• IUPAC Name: 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
• SMILES: O=C(COc1ccc(-c2nnco2)cc1)N1N=C(c2cccs2)CC1c1ccco1
• InChI: InChI=1S/C21H16N4O4S/c26-20(12-28-15-7-5-14(6-8-15)21-23-22-13-29-21)25-17(18-3-1-9-27-18)11-16(24-25)19-4-2-10-30-19/h1-10,13,17H,11-12H2
• InChIKey: PNICSGGTAAJRPW-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 93.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.45
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?

The IUPAC name of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (CID 16600636) is 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.

What is the SMILES notation for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?

The canonical SMILES for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is O=C(COc1ccc(-c2nnco2)cc1)N1N=C(c2cccs2)CC1c1ccco1.

What is the InChIKey of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?

The InChIKey is PNICSGGTAAJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S/c26-20(12-28-15-7-5-14(6-8-15)21-23-22-13-29-21)25-17(18-3-1-9-27-18)11-16(24-25)19-4-2-10-30-19/h1-10,13,17H,11-12H2.

What are the key properties of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?

1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone has a molecular weight of 420.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is sourced from PubChem (CID 16600636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).