N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

C26H19F3N4O2 — CID 90281291

About N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 90281291) has the molecular formula C26H19F3N4O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
• PubChem CID: 90281291
• Molecular Formula: C26H19F3N4O2
• Molecular Weight: 476.46 g/mol
• Exact Mass: 476.15
• IUPAC Name: N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
• SMILES: O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](Cc1cc(F)cc(F)c1)c1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C26H19F3N4O2/c27-18-6-7-22-21(13-18)17(14-30-22)11-24(34)31-23(10-15-8-19(28)12-20(29)9-15)26-33-32-25(35-26)16-4-2-1-3-5-16/h1-9,12-14,23,30H,10-11H2,(H,31,34)/t23-/m0/s1
• InChIKey: DKNZOKRTTLJWOO-QHCPKHFHSA-N
• XLogP: 5.28
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.46
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The IUPAC name of N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 90281291) is N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The canonical SMILES for N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](Cc1cc(F)cc(F)c1)c1nnc(-c2ccccc2)o1.

What is the InChIKey of N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

The InChIKey is DKNZOKRTTLJWOO-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H19F3N4O2/c27-18-6-7-22-21(13-18)17(14-30-22)11-24(34)31-23(10-15-8-19(28)12-20(29)9-15)26-33-32-25(35-26)16-4-2-1-3-5-16/h1-9,12-14,23,30H,10-11H2,(H,31,34)/t23-/m0/s1.

What are the key properties of N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?

N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 476.46 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(3,5-difluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 90281291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).