1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

C26H20N4O2 — CID 42111237

IUPAC1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C26H20N4O2/c31-24(30-15-14-18-8-4-6-12-22(18)30)17-29-16-21(20-11-5-7-13-23(20)29)26-28-27-25(32-26)19-9-2-1-3-10-19/h1-13,16H,14-15,17H2
InChIKeyZAHVLUQUKIHSPC-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.95
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (PubChem CID 42111237) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
PubChem CID42111237
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C26H20N4O2/c31-24(30-15-14-18-8-4-6-12-22(18)30)17-29-16-21(20-11-5-7-13-23(20)29)26-28-27-25(32-26)19-9-2-1-3-10-19/h1-13,16H,14-15,17H2
InChIKeyZAHVLUQUKIHSPC-UHFFFAOYSA-N
XLogP4.95
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone (CID 42111237) is 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
The InChIKey is ZAHVLUQUKIHSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c31-24(30-15-14-18-8-4-6-12-22(18)30)17-29-16-21(20-11-5-7-13-23(20)29)26-28-27-25(32-26)19-9-2-1-3-10-19/h1-13,16H,14-15,17H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone has a molecular weight of 420.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 42111237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).