[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone

C20H20N6O2 — CID 135887083

IUPAC[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C20H20N6O2/c1-11-17(24-18(21-11)20(27)26-7-3-4-8-26)13-5-6-15-14(9-13)10-16(23-15)19-22-12(2)25-28-19/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,21,24)
InChIKeyLIUUUJALAZXKJS-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.46
Rot. Bonds3

About [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone

[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135887083) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135887083
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C20H20N6O2/c1-11-17(24-18(21-11)20(27)26-7-3-4-8-26)13-5-6-15-14(9-13)10-16(23-15)19-22-12(2)25-28-19/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,21,24)
InChIKeyLIUUUJALAZXKJS-UHFFFAOYSA-N
XLogP3.46
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone (CID 135887083) is [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone is Cc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCC5)[nH]c4C)ccc3[nH]2)n1.
What is the InChIKey of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LIUUUJALAZXKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-11-17(24-18(21-11)20(27)26-7-3-4-8-26)13-5-6-15-14(9-13)10-16(23-15)19-22-12(2)25-28-19/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,21,24).
What are the key properties of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135887083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).