5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C21H24N6O — CID 167929269

IUPAC5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCN1CCCN(c2ccc(-c3noc(-c4ccc5c(c4)CNC5)n3)cn2)CC1
InChIInChI=1S/C21H24N6O/c1-26-7-2-8-27(10-9-26)19-6-5-17(14-23-19)20-24-21(28-25-20)15-3-4-16-12-22-13-18(16)11-15/h3-6,11,14,22H,2,7-10,12-13H2,1H3
InChIKeyHRINVGYTWWNUCR-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.54
Rot. Bonds3

About 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 167929269) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID167929269
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCN1CCCN(c2ccc(-c3noc(-c4ccc5c(c4)CNC5)n3)cn2)CC1
InChIInChI=1S/C21H24N6O/c1-26-7-2-8-27(10-9-26)19-6-5-17(14-23-19)20-24-21(28-25-20)15-3-4-16-12-22-13-18(16)11-15/h3-6,11,14,22H,2,7-10,12-13H2,1H3
InChIKeyHRINVGYTWWNUCR-UHFFFAOYSA-N
XLogP2.54
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 167929269) is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is CN1CCCN(c2ccc(-c3noc(-c4ccc5c(c4)CNC5)n3)cn2)CC1.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is HRINVGYTWWNUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26-7-2-8-27(10-9-26)19-6-5-17(14-23-19)20-24-21(28-25-20)15-3-4-16-12-22-13-18(16)11-15/h3-6,11,14,22H,2,7-10,12-13H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 376.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167929269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).