5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole

C10H9N3O — CID 102993845

IUPAC5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
SMILESc1noc(-c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C10H9N3O/c1-2-8-4-11-5-9(8)3-7(1)10-12-6-13-14-10/h1-3,6,11H,4-5H2
InChIKeyZNIZKFYBTGTBRR-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.34
Rot. Bonds1

About 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole (PubChem CID 102993845) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
PubChem CID102993845
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
SMILESc1noc(-c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C10H9N3O/c1-2-8-4-11-5-9(8)3-7(1)10-12-6-13-14-10/h1-3,6,11H,4-5H2
InChIKeyZNIZKFYBTGTBRR-UHFFFAOYSA-N
XLogP1.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole (CID 102993845) is 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole is c1noc(-c2ccc3c(c2)CNC3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
The InChIKey is ZNIZKFYBTGTBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-8-4-11-5-9(8)3-7(1)10-12-6-13-14-10/h1-3,6,11H,4-5H2.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole has a molecular weight of 187.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102993845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).