[(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium

C25H23N4O+ — CID 168720620

About [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium

[(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium (PubChem CID 168720620) has the molecular formula C25H23N4O+ and a molecular weight of 395.49 g/mol. Its IUPAC name is [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium.

Molecular Properties

• Compound Name: [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium
• PubChem CID: 168720620
• Molecular Formula: C25H23N4O+
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.19
• IUPAC Name: [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium
• SMILES: [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nc(Cc2ccc(-c3ccccc3)cc2)no1
• InChI: InChI=1S/C25H22N4O/c26-22(15-20-16-27-23-9-5-4-8-21(20)23)25-28-24(29-30-25)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,22,27H,14-15,26H2/p+1/t22-/m0/s1
• InChIKey: MMKRWVPETWUSRD-QFIPXVFZSA-O
• XLogP: 4.33
• TPSA: 82.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium?

The IUPAC name of [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium (CID 168720620) is [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium.

What is the SMILES notation for [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium?

The canonical SMILES for [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium is [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nc(Cc2ccc(-c3ccccc3)cc2)no1.

What is the InChIKey of [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium?

The InChIKey is MMKRWVPETWUSRD-QFIPXVFZSA-O. The full InChI is InChI=1S/C25H22N4O/c26-22(15-20-16-27-23-9-5-4-8-21(20)23)25-28-24(29-30-25)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,22,27H,14-15,26H2/p+1/t22-/m0/s1.

What are the key properties of [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium?

[(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium has a molecular weight of 395.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium is sourced from PubChem (CID 168720620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).