3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide

C22H17F3N4O2 — CID 156815719

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 156815719) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide
• PubChem CID: 156815719
• Molecular Formula: C22H17F3N4O2
• Molecular Weight: 426.40 g/mol
• Exact Mass: 426.13
• IUPAC Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide
• SMILES: O=C(NCc1nnco1)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C22H17F3N4O2/c23-14-3-1-11(2-4-14)20-19(16-7-15(24)8-17(25)21(16)28-20)12-5-13(6-12)22(30)26-9-18-29-27-10-31-18/h1-4,7-8,10,12-13,28H,5-6,9H2,(H,26,30)
• InChIKey: PGLGJTUIBDEPBM-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.40
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide?

The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide (CID 156815719) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide.

What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide?

The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1nnco1)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide?

The InChIKey is PGLGJTUIBDEPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-14-3-1-11(2-4-14)20-19(16-7-15(24)8-17(25)21(16)28-20)12-5-13(6-12)22(30)26-9-18-29-27-10-31-18/h1-4,7-8,10,12-13,28H,5-6,9H2,(H,26,30).

What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide?

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 156815719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).