2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole

C19H15F3N4O3S — CID 43043702

About 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole

2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole (PubChem CID 43043702) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole
• PubChem CID: 43043702
• Molecular Formula: C19H15F3N4O3S
• Molecular Weight: 436.42 g/mol
• Exact Mass: 436.08
• IUPAC Name: 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole
• SMILES: Cc1occc1-c1nnc(SCCCc2nc(-c3cccc(C(F)(F)F)c3)no2)o1
• InChI: InChI=1S/C19H15F3N4O3S/c1-11-14(7-8-27-11)17-24-25-18(28-17)30-9-3-6-15-23-16(26-29-15)12-4-2-5-13(10-12)19(20,21)22/h2,4-5,7-8,10H,3,6,9H2,1H3
• InChIKey: VWHKHAAZGBFWNO-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 90.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.42
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole (CID 43043702) is 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole is Cc1occc1-c1nnc(SCCCc2nc(-c3cccc(C(F)(F)F)c3)no2)o1.

What is the InChIKey of 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole?

The InChIKey is VWHKHAAZGBFWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-11-14(7-8-27-11)17-24-25-18(28-17)30-9-3-6-15-23-16(26-29-15)12-4-2-5-13(10-12)19(20,21)22/h2,4-5,7-8,10H,3,6,9H2,1H3.

What are the key properties of 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole?

2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 436.42 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylfuran-3-yl)-5-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 43043702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).